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

C12H8Cl2N2O — CID 835563

IUPACN-(3,4-dichlorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccncc1
InChIInChI=1S/C12H8Cl2N2O/c13-10-2-1-9(7-11(10)14)16-12(17)8-3-5-15-6-4-8/h1-7H,(H,16,17)
InChIKeyBGYMOCCFNISYIR-UHFFFAOYSA-N
MW267.12 g/mol
LogP3.64
Rot. Bonds2

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

N-(3,4-dichlorophenyl)pyridine-4-carboxamide (PubChem CID 835563) has the molecular formula C12H8Cl2N2O and a molecular weight of 267.12 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)pyridine-4-carboxamide
PubChem CID835563
Molecular FormulaC12H8Cl2N2O
Molecular Weight267.12 g/mol
Exact Mass266.00
IUPAC NameN-(3,4-dichlorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccncc1
InChIInChI=1S/C12H8Cl2N2O/c13-10-2-1-9(7-11(10)14)16-12(17)8-3-5-15-6-4-8/h1-7H,(H,16,17)
InChIKeyBGYMOCCFNISYIR-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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Related Compounds

VU0364770
CID 836002
Benzamide, 2-chloro-N-4-pyridinyl-
CID 5121684
N-(3,4-Dichlorophenyl)-3-pyridinecarboxamide
CID 668892
2-chloro-N-(pyridin-3-yl)benzamide
CID 587129
3,4-Dichloro-N-pyridin-3-yl-benzamide
CID 762535
N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide
CID 771964
2,6-dichloro-N-(pyridin-4-yl)benzamide
CID 3120536
1-(3,4-Dichlorophenyl)-3-(3-pyridylmethyl)urea
CID 734408
Ztz240
CID 3780776
4-chloro-N-(6-chloropyridin-3-yl)benzamide
CID 4314115
6-chloro-N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 2121893
N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 668893

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)pyridine-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)pyridine-4-carboxamide (CID 835563) is N-(3,4-dichlorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)pyridine-4-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccncc1.
What is the InChIKey of N-(3,4-dichlorophenyl)pyridine-4-carboxamide?
The InChIKey is BGYMOCCFNISYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O/c13-10-2-1-9(7-11(10)14)16-12(17)8-3-5-15-6-4-8/h1-7H,(H,16,17).
What are the key properties of N-(3,4-dichlorophenyl)pyridine-4-carboxamide?
N-(3,4-dichlorophenyl)pyridine-4-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-4-carboxamide is sourced from PubChem (CID 835563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).