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

C12H8Cl2N2O — CID 4644726

IUPACN-(3,4-dichlorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccccn1
InChIInChI=1S/C12H8Cl2N2O/c13-9-5-4-8(7-10(9)14)16-12(17)11-3-1-2-6-15-11/h1-7H,(H,16,17)
InChIKeyLHHAMCVPALNXOF-UHFFFAOYSA-N
MW267.12 g/mol
LogP3.64
Rot. Bonds2

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

N-(3,4-dichlorophenyl)pyridine-2-carboxamide (PubChem CID 4644726) has the molecular formula C12H8Cl2N2O and a molecular weight of 267.12 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)pyridine-2-carboxamide
PubChem CID4644726
Molecular FormulaC12H8Cl2N2O
Molecular Weight267.12 g/mol
Exact Mass266.00
IUPAC NameN-(3,4-dichlorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccccn1
InChIInChI=1S/C12H8Cl2N2O/c13-9-5-4-8(7-10(9)14)16-12(17)11-3-1-2-6-15-11/h1-7H,(H,16,17)
InChIKeyLHHAMCVPALNXOF-UHFFFAOYSA-N
XLogP3.64
TPSA41.99 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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)pyridine-2-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)pyridine-2-carboxamide (CID 4644726) is N-(3,4-dichlorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)pyridine-2-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)pyridine-2-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccn1.
What is the InChIKey of N-(3,4-dichlorophenyl)pyridine-2-carboxamide?
The InChIKey is LHHAMCVPALNXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O/c13-9-5-4-8(7-10(9)14)16-12(17)11-3-1-2-6-15-11/h1-7H,(H,16,17).
What are the key properties of N-(3,4-dichlorophenyl)pyridine-2-carboxamide?
N-(3,4-dichlorophenyl)pyridine-2-carboxamide has a molecular weight of 267.12 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 4644726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).