2-chloro-N-(4-cyanophenyl)-5-nitropyridine-4-carboxamide

C13H7ClN4O3 — CID 103732229

IUPAC2-chloro-N-(4-cyanophenyl)-5-nitropyridine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(Cl)ncc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H7ClN4O3/c14-12-5-10(11(7-16-12)18(20)21)13(19)17-9-3-1-8(6-15)2-4-9/h1-5,7H,(H,17,19)
InChIKeyZFYHCPPIWDUXQR-UHFFFAOYSA-N
MW302.68 g/mol
LogP2.77
Rot. Bonds3

About 2-chloro-N-(4-cyanophenyl)-5-nitropyridine-4-carboxamide

2-chloro-N-(4-cyanophenyl)-5-nitropyridine-4-carboxamide (PubChem CID 103732229) has the molecular formula C13H7ClN4O3 and a molecular weight of 302.68 g/mol. Its IUPAC name is 2-chloro-N-(4-cyanophenyl)-5-nitropyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-cyanophenyl)-5-nitropyridine-4-carboxamide
PubChem CID103732229
Molecular FormulaC13H7ClN4O3
Molecular Weight302.68 g/mol
Exact Mass302.02
IUPAC Name2-chloro-N-(4-cyanophenyl)-5-nitropyridine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(Cl)ncc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H7ClN4O3/c14-12-5-10(11(7-16-12)18(20)21)13(19)17-9-3-1-8(6-15)2-4-9/h1-5,7H,(H,17,19)
InChIKeyZFYHCPPIWDUXQR-UHFFFAOYSA-N
XLogP2.77
TPSA108.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide
CID 103730811
2-chloro-N-(3-chloro-4-fluorophenyl)-5-nitropyridine-4-carboxamide
CID 103730763
N-(3-bromo-4-fluorophenyl)-2-chloro-5-nitropyridine-4-carboxamide
CID 103734087
2-chloro-5-nitro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-4-carboxamide
CID 103730947
2-amino-N-(4-cyanophenyl)-3-nitrobenzamide
CID 115678558
2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide
CID 114918756
2-chloro-N-(1-cyanocyclopentyl)-5-nitropyridine-4-carboxamide
CID 103733579
2-chloro-N-(2,3-difluorophenyl)-5-nitropyridine-4-carboxamide
CID 103733313
2-chloro-N-(4-cyanophenyl)-5-fluoropyridine-3-carboxamide
CID 103893052
4-amino-N-(4-cyanophenyl)-3-nitrobenzamide
CID 60630970
2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-nitropyridine-4-carboxamide
CID 114089801
2-chloro-N-(2,2-dimethylpropyl)-5-nitropyridine-4-carboxamide
CID 113250953

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-cyanophenyl)-5-nitropyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(4-cyanophenyl)-5-nitropyridine-4-carboxamide (CID 103732229) is 2-chloro-N-(4-cyanophenyl)-5-nitropyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-cyanophenyl)-5-nitropyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(4-cyanophenyl)-5-nitropyridine-4-carboxamide is N#Cc1ccc(NC(=O)c2cc(Cl)ncc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-chloro-N-(4-cyanophenyl)-5-nitropyridine-4-carboxamide?
The InChIKey is ZFYHCPPIWDUXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN4O3/c14-12-5-10(11(7-16-12)18(20)21)13(19)17-9-3-1-8(6-15)2-4-9/h1-5,7H,(H,17,19).
What are the key properties of 2-chloro-N-(4-cyanophenyl)-5-nitropyridine-4-carboxamide?
2-chloro-N-(4-cyanophenyl)-5-nitropyridine-4-carboxamide has a molecular weight of 302.68 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-cyanophenyl)-5-nitropyridine-4-carboxamide is sourced from PubChem (CID 103732229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).