6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide

C13H10Cl2N2O — CID 91312921

IUPAC6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Cl)nc2)ccc1Cl
InChIInChI=1S/C13H10Cl2N2O/c1-8-6-10(3-4-11(8)14)17-13(18)9-2-5-12(15)16-7-9/h2-7H,1H3,(H,17,18)
InChIKeyDOSGYERJQDZRLL-UHFFFAOYSA-N
MW281.14 g/mol
LogP3.95
Rot. Bonds2

About 6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide

6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide (PubChem CID 91312921) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is 6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide
PubChem CID91312921
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Name6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Cl)nc2)ccc1Cl
InChIInChI=1S/C13H10Cl2N2O/c1-8-6-10(3-4-11(8)14)17-13(18)9-2-5-12(15)16-7-9/h2-7H,1H3,(H,17,18)
InChIKeyDOSGYERJQDZRLL-UHFFFAOYSA-N
XLogP3.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 113226989
N-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide
CID 113278384
6-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-carboxamide
CID 103769566
6-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64782062
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956
N-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 60723641
6-chloro-N-(2-chloropyrimidin-5-yl)pyridine-3-carboxamide
CID 10125350
N-(6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 78929782
N-(4-bromo-3-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 65435923
6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 66462281
3-bromo-4-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113329917
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide (CID 91312921) is 6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide is Cc1cc(NC(=O)c2ccc(Cl)nc2)ccc1Cl.
What is the InChIKey of 6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is DOSGYERJQDZRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c1-8-6-10(3-4-11(8)14)17-13(18)9-2-5-12(15)16-7-9/h2-7H,1H3,(H,17,18).
What are the key properties of 6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide?
6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide has a molecular weight of 281.14 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 91312921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).