Name: Name:2-{[(4-fluorophenyl)methyl]sulfanyl}pyridine-3-carboxylic acid
Brand: Angene
SKU: AG019U87
Rating: 90 (10 reviews)

2-{[(4-fluorophenyl)methyl]sulfanyl}pyridine-3-carboxylic acid

CAS No.:

460736-49-6

Catalog Number:

AG019U87

Molecular Formula:

Molecular Weight:

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Product Description

Catalog Number:

AG019U87

Chemical Name:

2-{[(4-fluorophenyl)methyl]sulfanyl}pyridine-3-carboxylic acid

CAS Number:

460736-49-6

MDL Number:

MFCD03123099

IUPAC Name:

2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxylic acid

InChI:

InChI=1S/C13H10FNO2S/c14-10-5-3-9(4-6-10)8-18-12-11(13(16)17)2-1-7-15-12/h1-7H,8H2,(H,16,17)

InChI Key:

NKKMJXDCMFNXOS-UHFFFAOYSA-N

Properties

Complexity:

282

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

263.042g/mol

Formal Charge:

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Molecular Weight:

263.286g/mol

Monoisotopic Mass:

263.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101