2-chloro-6-[(2-chlorophenyl)methyl-methylamino]pyridine-4-carboxylic acid

C14H12Cl2N2O2 — CID 61417393

IUPAC2-chloro-6-[(2-chlorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
SMILESCN(Cc1ccccc1Cl)c1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C14H12Cl2N2O2/c1-18(8-9-4-2-3-5-11(9)15)13-7-10(14(19)20)6-12(16)17-13/h2-7H,8H2,1H3,(H,19,20)
InChIKeyZZWRHRLDGVSFDO-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.72
Rot. Bonds4

About 2-chloro-6-[(2-chlorophenyl)methyl-methylamino]pyridine-4-carboxylic acid

2-chloro-6-[(2-chlorophenyl)methyl-methylamino]pyridine-4-carboxylic acid (PubChem CID 61417393) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 2-chloro-6-[(2-chlorophenyl)methyl-methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[(2-chlorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
PubChem CID61417393
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name2-chloro-6-[(2-chlorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
SMILESCN(Cc1ccccc1Cl)c1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C14H12Cl2N2O2/c1-18(8-9-4-2-3-5-11(9)15)13-7-10(14(19)20)6-12(16)17-13/h2-7H,8H2,1H3,(H,19,20)
InChIKeyZZWRHRLDGVSFDO-UHFFFAOYSA-N
XLogP3.72
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid
CID 43343644
3-chloro-4-[(2-chlorophenyl)methyl-methylamino]benzoic acid
CID 63514701
2-chloro-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61417716
6-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 31537704
2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61417811
2-chloro-6-[methyl(methylsulfanyl)amino]pyridine-4-carboxylic acid
CID 143234511
5-amino-6-[(2-chlorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81440145
2-chloro-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid
CID 79858550
2-chloro-6-[cyclohexylmethyl(methyl)amino]pyridine-4-carboxylic acid
CID 61446979
2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carboxylic acid
CID 55170476
6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridazin-3-amine
CID 61417484
6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 62255692

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-chlorophenyl)methyl-methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[(2-chlorophenyl)methyl-methylamino]pyridine-4-carboxylic acid (CID 61417393) is 2-chloro-6-[(2-chlorophenyl)methyl-methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[(2-chlorophenyl)methyl-methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[(2-chlorophenyl)methyl-methylamino]pyridine-4-carboxylic acid is CN(Cc1ccccc1Cl)c1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(2-chlorophenyl)methyl-methylamino]pyridine-4-carboxylic acid?
The InChIKey is ZZWRHRLDGVSFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-18(8-9-4-2-3-5-11(9)15)13-7-10(14(19)20)6-12(16)17-13/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 2-chloro-6-[(2-chlorophenyl)methyl-methylamino]pyridine-4-carboxylic acid?
2-chloro-6-[(2-chlorophenyl)methyl-methylamino]pyridine-4-carboxylic acid has a molecular weight of 311.17 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-chlorophenyl)methyl-methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 61417393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).