N-(4-amino-3-nitrophenyl)-6-chloropyridine-3-carboxamide

C12H9ClN4O3 — CID 86248819

IUPACN-(4-amino-3-nitrophenyl)-6-chloropyridine-3-carboxamide
SMILESNc1ccc(NC(=O)c2ccc(Cl)nc2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H9ClN4O3/c13-11-4-1-7(6-15-11)12(18)16-8-2-3-9(14)10(5-8)17(19)20/h1-6H,14H2,(H,16,18)
InChIKeyKOWINCAKBUXHAZ-UHFFFAOYSA-N
MW292.68 g/mol
LogP2.48
Rot. Bonds3

About N-(4-amino-3-nitrophenyl)-6-chloropyridine-3-carboxamide

N-(4-amino-3-nitrophenyl)-6-chloropyridine-3-carboxamide (PubChem CID 86248819) has the molecular formula C12H9ClN4O3 and a molecular weight of 292.68 g/mol. Its IUPAC name is N-(4-amino-3-nitrophenyl)-6-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-nitrophenyl)-6-chloropyridine-3-carboxamide
PubChem CID86248819
Molecular FormulaC12H9ClN4O3
Molecular Weight292.68 g/mol
Exact Mass292.04
IUPAC NameN-(4-amino-3-nitrophenyl)-6-chloropyridine-3-carboxamide
SMILESNc1ccc(NC(=O)c2ccc(Cl)nc2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H9ClN4O3/c13-11-4-1-7(6-15-11)12(18)16-8-2-3-9(14)10(5-8)17(19)20/h1-6H,14H2,(H,16,18)
InChIKeyKOWINCAKBUXHAZ-UHFFFAOYSA-N
XLogP2.48
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide
CID 22668935
2-N,5-N-bis(3-chloro-4-nitrophenyl)pyridine-2,5-dicarboxamide
CID 4294395
4-amino-N-(3,5-dichlorophenyl)-3-nitrobenzamide
CID 60631186
4-amino-3-nitro-N-pyrimidin-5-ylbenzamide
CID 104862717
N-(4-amino-3-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 170986417
3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide
CID 62680652
N-(3-chloro-4-nitrophenyl)-6-fluoropyridine-3-carboxamide
CID 78962697
6-chloro-N-(5-methyl-2-nitrophenyl)pyridine-3-carboxamide
CID 115912537
6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 113226989
N-(4-bromo-3-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 79760195
6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide
CID 91312921
N-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide
CID 113278384

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-nitrophenyl)-6-chloropyridine-3-carboxamide?
The IUPAC name of N-(4-amino-3-nitrophenyl)-6-chloropyridine-3-carboxamide (CID 86248819) is N-(4-amino-3-nitrophenyl)-6-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-3-nitrophenyl)-6-chloropyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-3-nitrophenyl)-6-chloropyridine-3-carboxamide is Nc1ccc(NC(=O)c2ccc(Cl)nc2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-amino-3-nitrophenyl)-6-chloropyridine-3-carboxamide?
The InChIKey is KOWINCAKBUXHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O3/c13-11-4-1-7(6-15-11)12(18)16-8-2-3-9(14)10(5-8)17(19)20/h1-6H,14H2,(H,16,18).
What are the key properties of N-(4-amino-3-nitrophenyl)-6-chloropyridine-3-carboxamide?
N-(4-amino-3-nitrophenyl)-6-chloropyridine-3-carboxamide has a molecular weight of 292.68 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-nitrophenyl)-6-chloropyridine-3-carboxamide is sourced from PubChem (CID 86248819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).