6-chloro-N-methyl-5-nitropyridine-3-carboxamide

C7H6ClN3O3 — CID 171531866

IUPAC6-chloro-N-methyl-5-nitropyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C7H6ClN3O3/c1-9-7(12)4-2-5(11(13)14)6(8)10-3-4/h2-3H,1H3,(H,9,12)
InChIKeyKAYHYADUFANNDE-UHFFFAOYSA-N
MW215.60 g/mol
LogP1.00
Rot. Bonds2

About 6-chloro-N-methyl-5-nitropyridine-3-carboxamide

6-chloro-N-methyl-5-nitropyridine-3-carboxamide (PubChem CID 171531866) has the molecular formula C7H6ClN3O3 and a molecular weight of 215.60 g/mol. Its IUPAC name is 6-chloro-N-methyl-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-5-nitropyridine-3-carboxamide
PubChem CID171531866
Molecular FormulaC7H6ClN3O3
Molecular Weight215.60 g/mol
Exact Mass215.01
IUPAC Name6-chloro-N-methyl-5-nitropyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C7H6ClN3O3/c1-9-7(12)4-2-5(11(13)14)6(8)10-3-4/h2-3H,1H3,(H,9,12)
InChIKeyKAYHYADUFANNDE-UHFFFAOYSA-N
XLogP1.00
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.60
LogP ≤ 51.00
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-N-methyl-5-nitropyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-methyl-5-nitropyridine-3-carboxamide (CID 171531866) is 6-chloro-N-methyl-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-5-nitropyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-5-nitropyridine-3-carboxamide is CNC(=O)c1cnc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 6-chloro-N-methyl-5-nitropyridine-3-carboxamide?
The InChIKey is KAYHYADUFANNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O3/c1-9-7(12)4-2-5(11(13)14)6(8)10-3-4/h2-3H,1H3,(H,9,12).
What are the key properties of 6-chloro-N-methyl-5-nitropyridine-3-carboxamide?
6-chloro-N-methyl-5-nitropyridine-3-carboxamide has a molecular weight of 215.60 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 171531866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).