2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide

C11H7ClN4O3 — CID 103730811

IUPAC2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide
SMILESO=C(Nc1ccncc1)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H7ClN4O3/c12-10-5-8(9(6-14-10)16(18)19)11(17)15-7-1-3-13-4-2-7/h1-6H,(H,13,15,17)
InChIKeyYMXZPSQYCVGZJC-UHFFFAOYSA-N
MW278.66 g/mol
LogP2.29
Rot. Bonds3

About 2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide

2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide (PubChem CID 103730811) has the molecular formula C11H7ClN4O3 and a molecular weight of 278.66 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide
PubChem CID103730811
Molecular FormulaC11H7ClN4O3
Molecular Weight278.66 g/mol
Exact Mass278.02
IUPAC Name2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide
SMILESO=C(Nc1ccncc1)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H7ClN4O3/c12-10-5-8(9(6-14-10)16(18)19)11(17)15-7-1-3-13-4-2-7/h1-6H,(H,13,15,17)
InChIKeyYMXZPSQYCVGZJC-UHFFFAOYSA-N
XLogP2.29
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.66
LogP ≤ 52.29
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-N-(4-cyanophenyl)-5-nitropyridine-4-carboxamide
CID 103732229
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
2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide
CID 114918756
2-chloro-5-nitro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-4-carboxamide
CID 103730947
2-nitro-N-pyridin-4-ylbenzamide
CID 766646
2-chloro-N-(2,3-difluorophenyl)-5-nitropyridine-4-carboxamide
CID 103733313
2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide
CID 115736086
2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-5-nitropyridine-4-carboxamide
CID 114089801
2-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide
CID 103730768
2-chloro-N-[(4-chlorophenyl)methyl]-5-nitropyridine-4-carboxamide
CID 103730707
3-chloro-N-(3-chloro-4-nitrophenyl)pyridine-4-carboxamide
CID 79118519

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide (CID 103730811) is 2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide is O=C(Nc1ccncc1)c1cc(Cl)ncc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide?
The InChIKey is YMXZPSQYCVGZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O3/c12-10-5-8(9(6-14-10)16(18)19)11(17)15-7-1-3-13-4-2-7/h1-6H,(H,13,15,17).
What are the key properties of 2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide?
2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide has a molecular weight of 278.66 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 103730811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).