6-chloro-N-(3,4-dichlorophenyl)pyridine-3-carboxamide

C12H7Cl3N2O — CID 3910786

IUPAC6-chloro-N-(3,4-dichlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)nc1
InChIInChI=1S/C12H7Cl3N2O/c13-9-3-2-8(5-10(9)14)17-12(18)7-1-4-11(15)16-6-7/h1-6H,(H,17,18)
InChIKeyHQAZIIQYLJZRFT-UHFFFAOYSA-N
MW301.56 g/mol
LogP4.29
Rot. Bonds2

About 6-chloro-N-(3,4-dichlorophenyl)pyridine-3-carboxamide

6-chloro-N-(3,4-dichlorophenyl)pyridine-3-carboxamide (PubChem CID 3910786) has the molecular formula C12H7Cl3N2O and a molecular weight of 301.56 g/mol. Its IUPAC name is 6-chloro-N-(3,4-dichlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3,4-dichlorophenyl)pyridine-3-carboxamide
PubChem CID3910786
Molecular FormulaC12H7Cl3N2O
Molecular Weight301.56 g/mol
Exact Mass299.96
IUPAC Name6-chloro-N-(3,4-dichlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)nc1
InChIInChI=1S/C12H7Cl3N2O/c13-9-3-2-8(5-10(9)14)17-12(18)7-1-4-11(15)16-6-7/h1-6H,(H,17,18)
InChIKeyHQAZIIQYLJZRFT-UHFFFAOYSA-N
XLogP4.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.56
LogP ≤ 54.29
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,4-dichlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3,4-dichlorophenyl)pyridine-3-carboxamide (CID 3910786) is 6-chloro-N-(3,4-dichlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3,4-dichlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3,4-dichlorophenyl)pyridine-3-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(3,4-dichlorophenyl)pyridine-3-carboxamide?
The InChIKey is HQAZIIQYLJZRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O/c13-9-3-2-8(5-10(9)14)17-12(18)7-1-4-11(15)16-6-7/h1-6H,(H,17,18).
What are the key properties of 6-chloro-N-(3,4-dichlorophenyl)pyridine-3-carboxamide?
6-chloro-N-(3,4-dichlorophenyl)pyridine-3-carboxamide has a molecular weight of 301.56 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,4-dichlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 3910786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).