2-chloro-3-nitro-N-pyridazin-3-ylpyridine-4-carboxamide

C10H6ClN5O3 — CID 115683157

IUPAC2-chloro-3-nitro-N-pyridazin-3-ylpyridine-4-carboxamide
SMILESO=C(Nc1cccnn1)c1ccnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C10H6ClN5O3/c11-9-8(16(18)19)6(3-5-12-9)10(17)14-7-2-1-4-13-15-7/h1-5H,(H,14,15,17)
InChIKeyZXGRSCJDKHUEKC-UHFFFAOYSA-N
MW279.64 g/mol
LogP1.69
Rot. Bonds3

About 2-chloro-3-nitro-N-pyridazin-3-ylpyridine-4-carboxamide

2-chloro-3-nitro-N-pyridazin-3-ylpyridine-4-carboxamide (PubChem CID 115683157) has the molecular formula C10H6ClN5O3 and a molecular weight of 279.64 g/mol. Its IUPAC name is 2-chloro-3-nitro-N-pyridazin-3-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-3-nitro-N-pyridazin-3-ylpyridine-4-carboxamide
PubChem CID115683157
Molecular FormulaC10H6ClN5O3
Molecular Weight279.64 g/mol
Exact Mass279.02
IUPAC Name2-chloro-3-nitro-N-pyridazin-3-ylpyridine-4-carboxamide
SMILESO=C(Nc1cccnn1)c1ccnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C10H6ClN5O3/c11-9-8(16(18)19)6(3-5-12-9)10(17)14-7-2-1-4-13-15-7/h1-5H,(H,14,15,17)
InChIKeyZXGRSCJDKHUEKC-UHFFFAOYSA-N
XLogP1.69
TPSA110.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.64
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-methoxyphenyl)-3-nitropyridine-4-carboxamide
CID 64856454
2-chloro-N',N'-dimethyl-3-nitropyridine-4-carbohydrazide
CID 83014753
2-chloro-N-(4-chloro-2-fluorophenyl)-3-nitropyridine-4-carboxamide
CID 64856850
2-chloro-N-(4-methylsulfanylphenyl)-3-nitropyridine-4-carboxamide
CID 64856476
2-chloro-3-nitropyridine-4-carboxylic acid;nitrous acid
CID 175487239
2-chloro-N-(3,3-dimethylbutan-2-yl)-3-nitropyridine-4-carboxamide
CID 113242404
2-chloro-N-(2-chloro-4-fluorophenyl)-3-nitropyridine-4-carboxamide
CID 64856467
(2S)-2-[(2-chloro-3-nitropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 114036572
5-bromo-2-chloro-N-pyridazin-3-ylpyridine-3-carboxamide
CID 115635717
N-(2-bromo-4-fluorophenyl)-2-chloro-3-nitropyridine-4-carboxamide
CID 64857439
4-chloro-N-pyridazin-3-ylpyridine-2-carboxamide
CID 115635761
2-chloro-N-[(1-hydroxycyclobutyl)methyl]-3-nitropyridine-4-carboxamide
CID 113247244

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-nitro-N-pyridazin-3-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-3-nitro-N-pyridazin-3-ylpyridine-4-carboxamide (CID 115683157) is 2-chloro-3-nitro-N-pyridazin-3-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-3-nitro-N-pyridazin-3-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-3-nitro-N-pyridazin-3-ylpyridine-4-carboxamide is O=C(Nc1cccnn1)c1ccnc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 2-chloro-3-nitro-N-pyridazin-3-ylpyridine-4-carboxamide?
The InChIKey is ZXGRSCJDKHUEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN5O3/c11-9-8(16(18)19)6(3-5-12-9)10(17)14-7-2-1-4-13-15-7/h1-5H,(H,14,15,17).
What are the key properties of 2-chloro-3-nitro-N-pyridazin-3-ylpyridine-4-carboxamide?
2-chloro-3-nitro-N-pyridazin-3-ylpyridine-4-carboxamide has a molecular weight of 279.64 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-nitro-N-pyridazin-3-ylpyridine-4-carboxamide is sourced from PubChem (CID 115683157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).