2-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic acid

C14H11ClN2O3 — CID 65345876

IUPAC2-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)c2cccc(Cl)n2)c1
InChIInChI=1S/C14H11ClN2O3/c15-12-6-2-5-11(17-12)14(20)16-10-4-1-3-9(7-10)8-13(18)19/h1-7H,8H2,(H,16,20)(H,18,19)
InChIKeyFIKXHFSZYWETTL-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.61
Rot. Bonds4

About 2-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic acid

2-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic acid (PubChem CID 65345876) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 2-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic acid
PubChem CID65345876
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name2-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)c2cccc(Cl)n2)c1
InChIInChI=1S/C14H11ClN2O3/c15-12-6-2-5-11(17-12)14(20)16-10-4-1-3-9(7-10)8-13(18)19/h1-7H,8H2,(H,16,20)(H,18,19)
InChIKeyFIKXHFSZYWETTL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide
CID 62234924
6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide
CID 55052347
2-[3-(pyrazine-2-carbonylamino)phenyl]acetic acid
CID 65346215
2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid
CID 65345747
6-chloro-N-(3-ethynylphenyl)pyridine-2-carboxamide
CID 62233805
N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloropyridine-2-carboxamide
CID 62233473
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
6-chloro-N-[4-(2-oxo-4-phenylbutyl)phenyl]pyridine-2-carboxamide
CID 167602608
2-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]phenyl]acetic acid
CID 66155943
6-[[3-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 61408010
2-[3-[(3-iodobenzoyl)amino]phenyl]acetic acid
CID 65346308
2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid
CID 81456260

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic acid (CID 65345876) is 2-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)c2cccc(Cl)n2)c1.
What is the InChIKey of 2-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic acid?
The InChIKey is FIKXHFSZYWETTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-12-6-2-5-11(17-12)14(20)16-10-4-1-3-9(7-10)8-13(18)19/h1-7H,8H2,(H,16,20)(H,18,19).
What are the key properties of 2-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic acid?
2-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic 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-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 65345876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).