6-chloro-3-nitropyridine-2-carboxamide

C6H4ClN3O3 — CID 10536087

IUPAC6-chloro-3-nitropyridine-2-carboxamide
SMILESNC(=O)c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C6H4ClN3O3/c7-4-2-1-3(10(12)13)5(9-4)6(8)11/h1-2H,(H2,8,11)
InChIKeySZUHUTYSEVDKJJ-UHFFFAOYSA-N
MW201.57 g/mol
LogP0.74
Rot. Bonds2

About 6-chloro-3-nitropyridine-2-carboxamide

6-chloro-3-nitropyridine-2-carboxamide (PubChem CID 10536087) has the molecular formula C6H4ClN3O3 and a molecular weight of 201.57 g/mol. Its IUPAC name is 6-chloro-3-nitropyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-nitropyridine-2-carboxamide
PubChem CID10536087
Molecular FormulaC6H4ClN3O3
Molecular Weight201.57 g/mol
Exact Mass200.99
IUPAC Name6-chloro-3-nitropyridine-2-carboxamide
SMILESNC(=O)c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C6H4ClN3O3/c7-4-2-1-3(10(12)13)5(9-4)6(8)11/h1-2H,(H2,8,11)
InChIKeySZUHUTYSEVDKJJ-UHFFFAOYSA-N
XLogP0.74
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.57
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-nitropyridine-2-carboxamide?
The IUPAC name of 6-chloro-3-nitropyridine-2-carboxamide (CID 10536087) is 6-chloro-3-nitropyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-3-nitropyridine-2-carboxamide?
The canonical SMILES for 6-chloro-3-nitropyridine-2-carboxamide is NC(=O)c1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 6-chloro-3-nitropyridine-2-carboxamide?
The InChIKey is SZUHUTYSEVDKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3O3/c7-4-2-1-3(10(12)13)5(9-4)6(8)11/h1-2H,(H2,8,11).
What are the key properties of 6-chloro-3-nitropyridine-2-carboxamide?
6-chloro-3-nitropyridine-2-carboxamide has a molecular weight of 201.57 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-nitropyridine-2-carboxamide is sourced from PubChem (CID 10536087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).