2-(3-chloro-N-(6-methylpyridine-2-carbonyl)anilino)acetic acid

C15H13ClN2O3 — CID 60826054

IUPAC2-(3-chloro-N-(6-methylpyridine-2-carbonyl)anilino)acetic acid
SMILESCc1cccc(C(=O)N(CC(=O)O)c2cccc(Cl)c2)n1
InChIInChI=1S/C15H13ClN2O3/c1-10-4-2-7-13(17-10)15(21)18(9-14(19)20)12-6-3-5-11(16)8-12/h2-8H,9H2,1H3,(H,19,20)
InChIKeyZFNCOIXNTMBWFY-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.77
Rot. Bonds4

About 2-(3-chloro-N-(6-methylpyridine-2-carbonyl)anilino)acetic acid

2-(3-chloro-N-(6-methylpyridine-2-carbonyl)anilino)acetic acid (PubChem CID 60826054) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-(3-chloro-N-(6-methylpyridine-2-carbonyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-N-(6-methylpyridine-2-carbonyl)anilino)acetic acid
PubChem CID60826054
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name2-(3-chloro-N-(6-methylpyridine-2-carbonyl)anilino)acetic acid
SMILESCc1cccc(C(=O)N(CC(=O)O)c2cccc(Cl)c2)n1
InChIInChI=1S/C15H13ClN2O3/c1-10-4-2-7-13(17-10)15(21)18(9-14(19)20)12-6-3-5-11(16)8-12/h2-8H,9H2,1H3,(H,19,20)
InChIKeyZFNCOIXNTMBWFY-UHFFFAOYSA-N
XLogP2.77
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-N-(6-chloropyridine-2-carbonyl)anilino)acetic acid
CID 62239396
2-(N-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-3-chloroanilino)acetic acid
CID 62793630
2-(3-chloro-N-(2-phenylacetyl)anilino)acetic acid
CID 28765730
2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid
CID 54996152
2-(3-chloro-N-(2,2,2-trifluoroacetyl)anilino)acetic acid
CID 54897844
2-[N-(2-aminoethylcarbamoyl)-3-chloroanilino]acetic acid
CID 61403139
2-(3-chloro-N-(2,2,3,3-tetramethylcyclopropanecarbonyl)anilino)acetic acid
CID 66476459
2-(N-(3-amino-2,2,3-trimethylbutanoyl)-3-chloroanilino)acetic acid
CID 65269873
2-(N-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-chloroanilino)acetic acid
CID 61161477
2-[3-chloro-N-(3-methylbutan-2-ylcarbamoyl)anilino]acetic acid
CID 61186137
2-[3-chloro-N-(prop-2-enylcarbamoyl)anilino]acetic acid
CID 61193527
2-(3-chlorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 55221466

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(6-methylpyridine-2-carbonyl)anilino)acetic acid?
The IUPAC name of 2-(3-chloro-N-(6-methylpyridine-2-carbonyl)anilino)acetic acid (CID 60826054) is 2-(3-chloro-N-(6-methylpyridine-2-carbonyl)anilino)acetic acid.
What is the SMILES notation for 2-(3-chloro-N-(6-methylpyridine-2-carbonyl)anilino)acetic acid?
The canonical SMILES for 2-(3-chloro-N-(6-methylpyridine-2-carbonyl)anilino)acetic acid is Cc1cccc(C(=O)N(CC(=O)O)c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-N-(6-methylpyridine-2-carbonyl)anilino)acetic acid?
The InChIKey is ZFNCOIXNTMBWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-10-4-2-7-13(17-10)15(21)18(9-14(19)20)12-6-3-5-11(16)8-12/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 2-(3-chloro-N-(6-methylpyridine-2-carbonyl)anilino)acetic acid?
2-(3-chloro-N-(6-methylpyridine-2-carbonyl)anilino)acetic acid has a molecular weight of 304.73 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(6-methylpyridine-2-carbonyl)anilino)acetic acid is sourced from PubChem (CID 60826054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).