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

C14H10Cl2N2O3 — CID 62239396

IUPAC2-(3-chloro-N-(6-chloropyridine-2-carbonyl)anilino)acetic acid
SMILESO=C(O)CN(C(=O)c1cccc(Cl)n1)c1cccc(Cl)c1
InChIInChI=1S/C14H10Cl2N2O3/c15-9-3-1-4-10(7-9)18(8-13(19)20)14(21)11-5-2-6-12(16)17-11/h1-7H,8H2,(H,19,20)
InChIKeyFLTOPVPYQDERMG-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.12
Rot. Bonds4

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

2-(3-chloro-N-(6-chloropyridine-2-carbonyl)anilino)acetic acid (PubChem CID 62239396) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 2-(3-chloro-N-(6-chloropyridine-2-carbonyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-N-(6-chloropyridine-2-carbonyl)anilino)acetic acid
PubChem CID62239396
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name2-(3-chloro-N-(6-chloropyridine-2-carbonyl)anilino)acetic acid
SMILESO=C(O)CN(C(=O)c1cccc(Cl)n1)c1cccc(Cl)c1
InChIInChI=1S/C14H10Cl2N2O3/c15-9-3-1-4-10(7-9)18(8-13(19)20)14(21)11-5-2-6-12(16)17-11/h1-7H,8H2,(H,19,20)
InChIKeyFLTOPVPYQDERMG-UHFFFAOYSA-N
XLogP3.12
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-chloro-N-(6-chloropyridine-2-carbonyl)anilino)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

2-(3-chloro-N-(6-methylpyridine-2-carbonyl)anilino)acetic acid
CID 60826054
2-(3-chloro-N-(2-phenylacetyl)anilino)acetic acid
CID 28765730
2-(N-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-3-chloroanilino)acetic acid
CID 62793630
2-(3-chloro-N-(2,2,2-trifluoroacetyl)anilino)acetic acid
CID 54897844
2-[N-(2-aminoethylcarbamoyl)-3-chloroanilino]acetic acid
CID 61403139
2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid
CID 54996152
2-[3-chloro-N-(prop-2-enylcarbamoyl)anilino]acetic acid
CID 61193527
2-(3-chloro-N-(2,2,3,3-tetramethylcyclopropanecarbonyl)anilino)acetic acid
CID 66476459
2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)acetic acid
CID 60825769
2-(N-(3-amino-2,2,3-trimethylbutanoyl)-3-chloroanilino)acetic acid
CID 65269873
2-[N-[bis(prop-2-enyl)carbamoyl]-3-chloroanilino]acetic acid
CID 61193082
2-(3-chloro-N-[2-(cyclohexen-1-yl)acetyl]anilino)acetic acid
CID 63565168

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(6-chloropyridine-2-carbonyl)anilino)acetic acid?
The IUPAC name of 2-(3-chloro-N-(6-chloropyridine-2-carbonyl)anilino)acetic acid (CID 62239396) is 2-(3-chloro-N-(6-chloropyridine-2-carbonyl)anilino)acetic acid.
What is the SMILES notation for 2-(3-chloro-N-(6-chloropyridine-2-carbonyl)anilino)acetic acid?
The canonical SMILES for 2-(3-chloro-N-(6-chloropyridine-2-carbonyl)anilino)acetic acid is O=C(O)CN(C(=O)c1cccc(Cl)n1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chloro-N-(6-chloropyridine-2-carbonyl)anilino)acetic acid?
The InChIKey is FLTOPVPYQDERMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c15-9-3-1-4-10(7-9)18(8-13(19)20)14(21)11-5-2-6-12(16)17-11/h1-7H,8H2,(H,19,20).
What are the key properties of 2-(3-chloro-N-(6-chloropyridine-2-carbonyl)anilino)acetic acid?
2-(3-chloro-N-(6-chloropyridine-2-carbonyl)anilino)acetic acid has a molecular weight of 325.15 g/mol, XLogP of 3.12, 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-chloropyridine-2-carbonyl)anilino)acetic acid is sourced from PubChem (CID 62239396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).