methyl 4-amino-6-chloro-3-(4-chlorophenyl)pyridine-2-carboxylate

C13H10Cl2N2O2 — CID 88889558

IUPACmethyl 4-amino-6-chloro-3-(4-chlorophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)cc(N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl2N2O2/c1-19-13(18)12-11(9(16)6-10(15)17-12)7-2-4-8(14)5-3-7/h2-6H,1H3,(H2,16,17)
InChIKeyQSOMZKPBSZSQCE-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.42
Rot. Bonds2

About methyl 4-amino-6-chloro-3-(4-chlorophenyl)pyridine-2-carboxylate

methyl 4-amino-6-chloro-3-(4-chlorophenyl)pyridine-2-carboxylate (PubChem CID 88889558) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is methyl 4-amino-6-chloro-3-(4-chlorophenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-chloro-3-(4-chlorophenyl)pyridine-2-carboxylate
PubChem CID88889558
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Namemethyl 4-amino-6-chloro-3-(4-chlorophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)cc(N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl2N2O2/c1-19-13(18)12-11(9(16)6-10(15)17-12)7-2-4-8(14)5-3-7/h2-6H,1H3,(H2,16,17)
InChIKeyQSOMZKPBSZSQCE-UHFFFAOYSA-N
XLogP3.42
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 4-amino-6-chloro-3-(4-chlorophenyl)pyridine-2-carboxylate 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

methyl 2-amino-5-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylate
CID 135499579
methyl 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylate
CID 22677295
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate
CID 59432126
methyl 4-amino-3-chloro-6-(3,4-dimethylphenyl)pyridine-2-carboxylate
CID 22677522
CID 147920792
CID 147920792
methyl 2-(3,5-dichlorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306376
methyl 6-chloro-3-(3,4-dichlorophenyl)pyridine-2-carboxylate
CID 133088044
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-carboxylate
CID 59432141
methyl 4-amino-6-chloro-5-fluoro-3-(4-trimethylsilylphenyl)pyridine-2-carboxylate
CID 172742481
methyl 4,6-dichloro-3-iodopyridine-2-carboxylate
CID 86668299
dimethyl 2,5-bis(4-methoxycarbonylphenyl)pyrimidine-4,6-dicarboxylate
CID 122204693
propan-2-yl 4-amino-3,6-dichloropyridine-2-carboxylate
CID 142076144

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-chloro-3-(4-chlorophenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-chloro-3-(4-chlorophenyl)pyridine-2-carboxylate (CID 88889558) is methyl 4-amino-6-chloro-3-(4-chlorophenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-chloro-3-(4-chlorophenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-chloro-3-(4-chlorophenyl)pyridine-2-carboxylate is COC(=O)c1nc(Cl)cc(N)c1-c1ccc(Cl)cc1.
What is the InChIKey of methyl 4-amino-6-chloro-3-(4-chlorophenyl)pyridine-2-carboxylate?
The InChIKey is QSOMZKPBSZSQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c1-19-13(18)12-11(9(16)6-10(15)17-12)7-2-4-8(14)5-3-7/h2-6H,1H3,(H2,16,17).
What are the key properties of methyl 4-amino-6-chloro-3-(4-chlorophenyl)pyridine-2-carboxylate?
methyl 4-amino-6-chloro-3-(4-chlorophenyl)pyridine-2-carboxylate has a molecular weight of 297.14 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-chloro-3-(4-chlorophenyl)pyridine-2-carboxylate is sourced from PubChem (CID 88889558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).