6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid

C14H12Cl2N2O3 — CID 22025904

IUPAC6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid
SMILESCOc1ccc(CNc2nc(Cl)ccc2C(=O)O)cc1Cl
InChIInChI=1S/C14H12Cl2N2O3/c1-21-11-4-2-8(6-10(11)15)7-17-13-9(14(19)20)3-5-12(16)18-13/h2-6H,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyAOGAXGFEYGSRDY-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.71
Rot. Bonds5

About 6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid

6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid (PubChem CID 22025904) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is 6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid
PubChem CID22025904
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid
SMILESCOc1ccc(CNc2nc(Cl)ccc2C(=O)O)cc1Cl
InChIInChI=1S/C14H12Cl2N2O3/c1-21-11-4-2-8(6-10(11)15)7-17-13-9(14(19)20)3-5-12(16)18-13/h2-6H,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyAOGAXGFEYGSRDY-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'}

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Related Compounds

ethyl 6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylate
CID 22025937
6-chloro-2-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-3-carboxylic acid
CID 103292726
6-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid
CID 63376781
4-[(3-chloro-4-methoxyphenyl)methylamino]quinoline-2,5-dicarboxylic acid
CID 139931059
6-chloro-2-[(4-nitrophenyl)methylamino]pyridine-3-carboxylic acid
CID 63379935
6-bromo-2-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]quinoline-3-carboxylic acid
CID 18518416
4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[(2S)-2-(propoxymethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid
CID 156767819
3-[(3-chloro-4-methoxyphenyl)methylamino]-3-oxopropanoic acid
CID 115163377
6-chloro-2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid
CID 63380401
ethyl 6-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]quinazoline-2-carboxylate
CID 18796701
6-chloro-N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 10201098
4-[6-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]butanoic acid
CID 18378875

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid (CID 22025904) is 6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid is COc1ccc(CNc2nc(Cl)ccc2C(=O)O)cc1Cl.
What is the InChIKey of 6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is AOGAXGFEYGSRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c1-21-11-4-2-8(6-10(11)15)7-17-13-9(14(19)20)3-5-12(16)18-13/h2-6H,7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 6-chloro-2-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid?
6-chloro-2-[(3-chloro-4-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-[(3-chloro-4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 22025904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).