6-chloro-2-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-3-carboxylic acid

C14H12Cl2N2O3 — CID 103292726

IUPAC6-chloro-2-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-3-carboxylic acid
SMILESCOc1cccc(Cl)c1CNc1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H12Cl2N2O3/c1-21-11-4-2-3-10(15)9(11)7-17-13-8(14(19)20)5-6-12(16)18-13/h2-6H,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyCMXDICSBMJBXCG-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.71
Rot. Bonds5

About 6-chloro-2-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-3-carboxylic acid

6-chloro-2-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-3-carboxylic acid (PubChem CID 103292726) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is 6-chloro-2-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-3-carboxylic acid
PubChem CID103292726
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name6-chloro-2-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-3-carboxylic acid
SMILESCOc1cccc(Cl)c1CNc1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H12Cl2N2O3/c1-21-11-4-2-3-10(15)9(11)7-17-13-8(14(19)20)5-6-12(16)18-13/h2-6H,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyCMXDICSBMJBXCG-UHFFFAOYSA-N
XLogP3.71
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-2-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-3-carboxylic 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

6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid
CID 22025904
6-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 103293213
2-amino-4-[(2-chloro-6-methoxyphenyl)methylamino]benzoic acid
CID 103293324
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
CID 103292832
6-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid
CID 63376781
2-N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxypyridine-2,3-diamine
CID 103291754
2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid
CID 103292963
6-chloro-2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid
CID 63380401
6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine
CID 103293605
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyridin-2-amine
CID 104624373
2-[(2-chloro-6-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 103292554

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-3-carboxylic acid (CID 103292726) is 6-chloro-2-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-3-carboxylic acid is COc1cccc(Cl)c1CNc1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 6-chloro-2-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is CMXDICSBMJBXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c1-21-11-4-2-3-10(15)9(11)7-17-13-8(14(19)20)5-6-12(16)18-13/h2-6H,7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 6-chloro-2-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-3-carboxylic acid?
6-chloro-2-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 327.17 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 103292726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).