6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide

C12H9ClN4O4 — CID 107260793

IUPAC6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cncc(Cl)n1
InChIInChI=1S/C12H9ClN4O4/c1-21-10-3-2-7(17(19)20)4-8(10)16-12(18)9-5-14-6-11(13)15-9/h2-6H,1H3,(H,16,18)
InChIKeyOJUIIUKSNFQNQC-UHFFFAOYSA-N
MW308.68 g/mol
LogP2.30
Rot. Bonds4

About 6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide

6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide (PubChem CID 107260793) has the molecular formula C12H9ClN4O4 and a molecular weight of 308.68 g/mol. Its IUPAC name is 6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide
PubChem CID107260793
Molecular FormulaC12H9ClN4O4
Molecular Weight308.68 g/mol
Exact Mass308.03
IUPAC Name6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cncc(Cl)n1
InChIInChI=1S/C12H9ClN4O4/c1-21-10-3-2-7(17(19)20)4-8(10)16-12(18)9-5-14-6-11(13)15-9/h2-6H,1H3,(H,16,18)
InChIKeyOJUIIUKSNFQNQC-UHFFFAOYSA-N
XLogP2.30
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.68
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 2108909
6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 103336862
6-amino-N-(2-methoxy-5-nitrophenyl)pyridine-2-carboxamide
CID 62240083
2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide
CID 106685355
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
CID 55374643
N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 46511382
2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 4525624
2-(3,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-oxazole-4-carboxamide
CID 84552904
2-chloro-6-(2-methoxy-4-nitrophenoxy)pyrazine
CID 62111115
2-(3-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 112773660
(2-chloro-4-nitrophenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 4121365

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide (CID 107260793) is 6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide?
The InChIKey is OJUIIUKSNFQNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O4/c1-21-10-3-2-7(17(19)20)4-8(10)16-12(18)9-5-14-6-11(13)15-9/h2-6H,1H3,(H,16,18).
What are the key properties of 6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide?
6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide has a molecular weight of 308.68 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107260793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).