N-(6-chloro-3-nitro-2-pyridinyl)-3-methylpyridine-2-carboxamide

C12H9ClN4O3 — CID 104820263

IUPACN-(6-chloro-3-nitro-2-pyridinyl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H9ClN4O3/c1-7-3-2-6-14-10(7)12(18)16-11-8(17(19)20)4-5-9(13)15-11/h2-6H,1H3,(H,15,16,18)
InChIKeyKNVOXWPXYLDOOI-UHFFFAOYSA-N
MW292.68 g/mol
LogP2.60
Rot. Bonds3

About N-(6-chloro-3-nitro-2-pyridinyl)-3-methylpyridine-2-carboxamide

N-(6-chloro-3-nitro-2-pyridinyl)-3-methylpyridine-2-carboxamide (PubChem CID 104820263) has the molecular formula C12H9ClN4O3 and a molecular weight of 292.68 g/mol. Its IUPAC name is N-(6-chloro-3-nitro-2-pyridinyl)-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-nitro-2-pyridinyl)-3-methylpyridine-2-carboxamide
PubChem CID104820263
Molecular FormulaC12H9ClN4O3
Molecular Weight292.68 g/mol
Exact Mass292.04
IUPAC NameN-(6-chloro-3-nitro-2-pyridinyl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H9ClN4O3/c1-7-3-2-6-14-10(7)12(18)16-11-8(17(19)20)4-5-9(13)15-11/h2-6H,1H3,(H,15,16,18)
InChIKeyKNVOXWPXYLDOOI-UHFFFAOYSA-N
XLogP2.60
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 52.60
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

N-(6-chloro-3-nitro-2-pyridinyl)-3,5-dimethylbenzamide
CID 115576070
N-(6-chloro-3-nitro-2-pyridinyl)-2,5-dimethylbenzamide
CID 104820207
N-(6-chloro-3-nitro-2-pyridinyl)pyrazine-2-carboxamide
CID 104820251
N-(6-chloro-3-nitro-2-pyridinyl)-1,5-dimethylpyrrole-2-carboxamide
CID 104820470
N-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide
CID 104820312
N-(6-chloro-3-nitro-2-pyridinyl)-2-iodobenzamide
CID 104820266
N-(6-chloro-3-nitro-2-pyridinyl)-2-fluorobenzamide
CID 115576061
N-(6-chloro-3-nitro-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 104820299
N-(6-chloro-3-nitro-2-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 104820422
2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-6-fluorobenzamide
CID 104820349
N-(6-chloro-3-nitro-2-pyridinyl)but-2-ynamide
CID 107996143
N-(6-chloro-3-nitro-2-pyridinyl)-3-methoxypropanamide
CID 104820229

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-3-methylpyridine-2-carboxamide?
The IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-3-methylpyridine-2-carboxamide (CID 104820263) is N-(6-chloro-3-nitro-2-pyridinyl)-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(6-chloro-3-nitro-2-pyridinyl)-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-(6-chloro-3-nitro-2-pyridinyl)-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)Nc1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of N-(6-chloro-3-nitro-2-pyridinyl)-3-methylpyridine-2-carboxamide?
The InChIKey is KNVOXWPXYLDOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O3/c1-7-3-2-6-14-10(7)12(18)16-11-8(17(19)20)4-5-9(13)15-11/h2-6H,1H3,(H,15,16,18).
What are the key properties of N-(6-chloro-3-nitro-2-pyridinyl)-3-methylpyridine-2-carboxamide?
N-(6-chloro-3-nitro-2-pyridinyl)-3-methylpyridine-2-carboxamide has a molecular weight of 292.68 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-nitro-2-pyridinyl)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 104820263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).