3-chloro-4-nitro-N-pyrazin-2-ylbenzamide

C11H7ClN4O3 — CID 82781781

IUPAC3-chloro-4-nitro-N-pyrazin-2-ylbenzamide
SMILESO=C(Nc1cnccn1)c1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C11H7ClN4O3/c12-8-5-7(1-2-9(8)16(18)19)11(17)15-10-6-13-3-4-14-10/h1-6H,(H,14,15,17)
InChIKeyLNTDUJUUYJRURG-UHFFFAOYSA-N
MW278.66 g/mol
LogP2.29
Rot. Bonds3

About 3-chloro-4-nitro-N-pyrazin-2-ylbenzamide

3-chloro-4-nitro-N-pyrazin-2-ylbenzamide (PubChem CID 82781781) has the molecular formula C11H7ClN4O3 and a molecular weight of 278.66 g/mol. Its IUPAC name is 3-chloro-4-nitro-N-pyrazin-2-ylbenzamide.

Molecular Properties

Compound Name3-chloro-4-nitro-N-pyrazin-2-ylbenzamide
PubChem CID82781781
Molecular FormulaC11H7ClN4O3
Molecular Weight278.66 g/mol
Exact Mass278.02
IUPAC Name3-chloro-4-nitro-N-pyrazin-2-ylbenzamide
SMILESO=C(Nc1cnccn1)c1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C11H7ClN4O3/c12-8-5-7(1-2-9(8)16(18)19)11(17)15-10-6-13-3-4-14-10/h1-6H,(H,14,15,17)
InChIKeyLNTDUJUUYJRURG-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide
CID 11834512
3-chloro-N-(2-chloro-3-pyridinyl)-4-nitrobenzamide
CID 821596
3-chloro-N-(6-methyl-2-pyridinyl)-4-nitrobenzamide
CID 82780242
3-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-4-nitrobenzamide
CID 82776473
3-chloro-4-nitro-N-(thiatriazol-5-yl)benzamide
CID 114912099
2-N,5-N-bis(3-chloro-4-nitrophenyl)pyridine-2,5-dicarboxamide
CID 4294395
4-chloro-3-(4-phenylphenyl)-N-pyrazin-2-ylbenzamide
CID 11523880
3-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide
CID 82776170
2-amino-3-chloro-5-nitro-N-pyrazin-2-ylbenzamide
CID 107200117
4-hydroxy-N-pyrazin-2-ylbenzamide
CID 43422735
3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide
CID 82775247
N-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide
CID 103604547

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-nitro-N-pyrazin-2-ylbenzamide?
The IUPAC name of 3-chloro-4-nitro-N-pyrazin-2-ylbenzamide (CID 82781781) is 3-chloro-4-nitro-N-pyrazin-2-ylbenzamide.
What is the SMILES notation for 3-chloro-4-nitro-N-pyrazin-2-ylbenzamide?
The canonical SMILES for 3-chloro-4-nitro-N-pyrazin-2-ylbenzamide is O=C(Nc1cnccn1)c1ccc([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of 3-chloro-4-nitro-N-pyrazin-2-ylbenzamide?
The InChIKey is LNTDUJUUYJRURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O3/c12-8-5-7(1-2-9(8)16(18)19)11(17)15-10-6-13-3-4-14-10/h1-6H,(H,14,15,17).
What are the key properties of 3-chloro-4-nitro-N-pyrazin-2-ylbenzamide?
3-chloro-4-nitro-N-pyrazin-2-ylbenzamide 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 3-chloro-4-nitro-N-pyrazin-2-ylbenzamide is sourced from PubChem (CID 82781781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).