2-[2-(4-chloroanilino)-2-oxoethyl]pyridine-3-carboxylic acid

C14H11ClN2O3 — CID 71428500

IUPAC2-[2-(4-chloroanilino)-2-oxoethyl]pyridine-3-carboxylic acid
SMILESO=C(Cc1ncccc1C(=O)O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O3/c15-9-3-5-10(6-4-9)17-13(18)8-12-11(14(19)20)2-1-7-16-12/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyOUOUZQJISBHHAF-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.61
Rot. Bonds4

About 2-[2-(4-chloroanilino)-2-oxoethyl]pyridine-3-carboxylic acid

2-[2-(4-chloroanilino)-2-oxoethyl]pyridine-3-carboxylic acid (PubChem CID 71428500) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 2-[2-(4-chloroanilino)-2-oxoethyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-chloroanilino)-2-oxoethyl]pyridine-3-carboxylic acid
PubChem CID71428500
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name2-[2-(4-chloroanilino)-2-oxoethyl]pyridine-3-carboxylic acid
SMILESO=C(Cc1ncccc1C(=O)O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O3/c15-9-3-5-10(6-4-9)17-13(18)8-12-11(14(19)20)2-1-7-16-12/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyOUOUZQJISBHHAF-UHFFFAOYSA-N
XLogP2.61
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-anilino-2-oxoethyl)pyridine-3-carboxylic acid
CID 22307391
2-(2-anilino-2-oxoethyl)pyridine-3-carboxylate
CID 22307390
3-chloro-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid
CID 107147337
2-(chloromethyl)pyridine-3-carboxylic acid
CID 19829123
2-[(4-chloro-3-fluoroanilino)methyl]pyridine-3-carboxylic acid
CID 114198674
N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide
CID 112987026
2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63654258
N-(4-chlorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53014071
2-[(2-bromo-5-chloroanilino)methyl]pyridine-3-carboxylic acid
CID 114198763
N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62167597
N-(4-chlorophenyl)pyrimidine-2-carboxamide
CID 56724074
3-bromo-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid
CID 107147183

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloroanilino)-2-oxoethyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(4-chloroanilino)-2-oxoethyl]pyridine-3-carboxylic acid (CID 71428500) is 2-[2-(4-chloroanilino)-2-oxoethyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(4-chloroanilino)-2-oxoethyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(4-chloroanilino)-2-oxoethyl]pyridine-3-carboxylic acid is O=C(Cc1ncccc1C(=O)O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chloroanilino)-2-oxoethyl]pyridine-3-carboxylic acid?
The InChIKey is OUOUZQJISBHHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-9-3-5-10(6-4-9)17-13(18)8-12-11(14(19)20)2-1-7-16-12/h1-7H,8H2,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(4-chloroanilino)-2-oxoethyl]pyridine-3-carboxylic acid?
2-[2-(4-chloroanilino)-2-oxoethyl]pyridine-3-carboxylic acid has a molecular weight of 290.71 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloroanilino)-2-oxoethyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 71428500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).