N-(4-chloro-3-nitrophenyl)pyrazine-2-carboxamide

C11H7ClN4O3 — CID 897509

IUPACN-(4-chloro-3-nitrophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cnccn1
InChIInChI=1S/C11H7ClN4O3/c12-8-2-1-7(5-10(8)16(18)19)15-11(17)9-6-13-3-4-14-9/h1-6H,(H,15,17)
InChIKeyCVWKUNUDZXXURA-UHFFFAOYSA-N
MW278.66 g/mol
LogP2.29
Rot. Bonds3

About N-(4-chloro-3-nitrophenyl)pyrazine-2-carboxamide

N-(4-chloro-3-nitrophenyl)pyrazine-2-carboxamide (PubChem CID 897509) has the molecular formula C11H7ClN4O3 and a molecular weight of 278.66 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)pyrazine-2-carboxamide
PubChem CID897509
Molecular FormulaC11H7ClN4O3
Molecular Weight278.66 g/mol
Exact Mass278.02
IUPAC NameN-(4-chloro-3-nitrophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cnccn1
InChIInChI=1S/C11H7ClN4O3/c12-8-2-1-7(5-10(8)16(18)19)15-11(17)9-6-13-3-4-14-9/h1-6H,(H,15,17)
InChIKeyCVWKUNUDZXXURA-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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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)pyrazine-2-carboxamide (CID 897509) is N-(4-chloro-3-nitrophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)pyrazine-2-carboxamide is O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cnccn1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)pyrazine-2-carboxamide?
The InChIKey is CVWKUNUDZXXURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O3/c12-8-2-1-7(5-10(8)16(18)19)15-11(17)9-6-13-3-4-14-9/h1-6H,(H,15,17).
What are the key properties of N-(4-chloro-3-nitrophenyl)pyrazine-2-carboxamide?
N-(4-chloro-3-nitrophenyl)pyrazine-2-carboxamide 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 N-(4-chloro-3-nitrophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 897509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).