2-(3,4-dichlorophenyl)pyridine-4-carboxamide

C12H8Cl2N2O — CID 56719253

IUPAC2-(3,4-dichlorophenyl)pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H8Cl2N2O/c13-9-2-1-7(5-10(9)14)11-6-8(12(15)17)3-4-16-11/h1-6H,(H2,15,17)
InChIKeyQPQZDABFRVNAMH-UHFFFAOYSA-N
MW267.12 g/mol
LogP3.15
Rot. Bonds2

About 2-(3,4-dichlorophenyl)pyridine-4-carboxamide

2-(3,4-dichlorophenyl)pyridine-4-carboxamide (PubChem CID 56719253) has the molecular formula C12H8Cl2N2O and a molecular weight of 267.12 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)pyridine-4-carboxamide
PubChem CID56719253
Molecular FormulaC12H8Cl2N2O
Molecular Weight267.12 g/mol
Exact Mass266.00
IUPAC Name2-(3,4-dichlorophenyl)pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H8Cl2N2O/c13-9-2-1-7(5-10(9)14)11-6-8(12(15)17)3-4-16-11/h1-6H,(H2,15,17)
InChIKeyQPQZDABFRVNAMH-UHFFFAOYSA-N
XLogP3.15
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)pyridine-4-carboxamide (CID 56719253) is 2-(3,4-dichlorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)pyridine-4-carboxamide is NC(=O)c1ccnc(-c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)pyridine-4-carboxamide?
The InChIKey is QPQZDABFRVNAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O/c13-9-2-1-7(5-10(9)14)11-6-8(12(15)17)3-4-16-11/h1-6H,(H2,15,17).
What are the key properties of 2-(3,4-dichlorophenyl)pyridine-4-carboxamide?
2-(3,4-dichlorophenyl)pyridine-4-carboxamide has a molecular weight of 267.12 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 56719253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).