6-amino-3-(3-methylsulfanylphenyl)pyridine-2-carboxylic acid

C13H12N2O2S — CID 53229349

IUPAC6-amino-3-(3-methylsulfanylphenyl)pyridine-2-carboxylic acid
SMILESCSc1cccc(-c2ccc(N)nc2C(=O)O)c1
InChIInChI=1S/C13H12N2O2S/c1-18-9-4-2-3-8(7-9)10-5-6-11(14)15-12(10)13(16)17/h2-7H,1H3,(H2,14,15)(H,16,17)
InChIKeyNEGIIWZVEUCFNK-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.75
Rot. Bonds3

About 6-amino-3-(3-methylsulfanylphenyl)pyridine-2-carboxylic acid

6-amino-3-(3-methylsulfanylphenyl)pyridine-2-carboxylic acid (PubChem CID 53229349) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 6-amino-3-(3-methylsulfanylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-3-(3-methylsulfanylphenyl)pyridine-2-carboxylic acid
PubChem CID53229349
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name6-amino-3-(3-methylsulfanylphenyl)pyridine-2-carboxylic acid
SMILESCSc1cccc(-c2ccc(N)nc2C(=O)O)c1
InChIInChI=1S/C13H12N2O2S/c1-18-9-4-2-3-8(7-9)10-5-6-11(14)15-12(10)13(16)17/h2-7H,1H3,(H2,14,15)(H,16,17)
InChIKeyNEGIIWZVEUCFNK-UHFFFAOYSA-N
XLogP2.75
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Amino-3-(4-tert-butylphenyl)pyridine-2-carboxylic acid
CID 53229431
2-Oxo-7-phenyl-2,3-dihydrothiazolo[4,5-b]pyridine-5-carboxylic acid
CID 132277376
6-Amino-3-methylpicolinic acid
CID 90412282
7-(4-fluorophenyl)-2-oxo-3H-[1,3]thiazolo[4,5-b]pyridine-5-carboxylic acid
CID 155816832
6-Amino-3-(3-fluorophenyl)picolinic acid
CID 46314200
Methyl 6-amino-3-(3-fluorophenyl)picolinate
CID 46314224
6-(2,6-Difluoro-3-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylic acid
CID 68288410
6-(2,6-Difluoro-4-(methylsulfinyl)phenyl)-5-fluoropicolinic acid
CID 70654608
6-(2,6-Difluoro-4-(methylthio)phenyl)-5-fluoropicolinic acid
CID 70655240
3-Ethylsulfanyl-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 124171339
3-Ethylsulfonyl-6-methyl-7-(trifluoromethyl)-5,6-dihydro-1,8-naphthyridine-2-carboxylic acid
CID 130330886
6-Amino-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 130429755

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(3-methylsulfanylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-amino-3-(3-methylsulfanylphenyl)pyridine-2-carboxylic acid (CID 53229349) is 6-amino-3-(3-methylsulfanylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-amino-3-(3-methylsulfanylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-amino-3-(3-methylsulfanylphenyl)pyridine-2-carboxylic acid is CSc1cccc(-c2ccc(N)nc2C(=O)O)c1.
What is the InChIKey of 6-amino-3-(3-methylsulfanylphenyl)pyridine-2-carboxylic acid?
The InChIKey is NEGIIWZVEUCFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-18-9-4-2-3-8(7-9)10-5-6-11(14)15-12(10)13(16)17/h2-7H,1H3,(H2,14,15)(H,16,17).
What are the key properties of 6-amino-3-(3-methylsulfanylphenyl)pyridine-2-carboxylic acid?
6-amino-3-(3-methylsulfanylphenyl)pyridine-2-carboxylic acid has a molecular weight of 260.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(3-methylsulfanylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 53229349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).