2-amino-N-(2-fluoro-6-methylphenyl)-5-nitropyridine-3-carboxamide

C13H11FN4O3 — CID 104625777

IUPAC2-amino-N-(2-fluoro-6-methylphenyl)-5-nitropyridine-3-carboxamide
SMILESCc1cccc(F)c1NC(=O)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C13H11FN4O3/c1-7-3-2-4-10(14)11(7)17-13(19)9-5-8(18(20)21)6-16-12(9)15/h2-6H,1H3,(H2,15,16)(H,17,19)
InChIKeyVCLKGXMELKJSER-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.27
Rot. Bonds3

About 2-amino-N-(2-fluoro-6-methylphenyl)-5-nitropyridine-3-carboxamide

2-amino-N-(2-fluoro-6-methylphenyl)-5-nitropyridine-3-carboxamide (PubChem CID 104625777) has the molecular formula C13H11FN4O3 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-amino-N-(2-fluoro-6-methylphenyl)-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-fluoro-6-methylphenyl)-5-nitropyridine-3-carboxamide
PubChem CID104625777
Molecular FormulaC13H11FN4O3
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC Name2-amino-N-(2-fluoro-6-methylphenyl)-5-nitropyridine-3-carboxamide
SMILESCc1cccc(F)c1NC(=O)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C13H11FN4O3/c1-7-3-2-4-10(14)11(7)17-13(19)9-5-8(18(20)21)6-16-12(9)15/h2-6H,1H3,(H2,15,16)(H,17,19)
InChIKeyVCLKGXMELKJSER-UHFFFAOYSA-N
XLogP2.27
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.27
H-Bond Donors ≤ 52
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 2-amino-N-(2-fluoro-6-methylphenyl)-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(2-fluoro-6-methylphenyl)-5-nitropyridine-3-carboxamide (CID 104625777) is 2-amino-N-(2-fluoro-6-methylphenyl)-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(2-fluoro-6-methylphenyl)-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(2-fluoro-6-methylphenyl)-5-nitropyridine-3-carboxamide is Cc1cccc(F)c1NC(=O)c1cc([N+](=O)[O-])cnc1N.
What is the InChIKey of 2-amino-N-(2-fluoro-6-methylphenyl)-5-nitropyridine-3-carboxamide?
The InChIKey is VCLKGXMELKJSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O3/c1-7-3-2-4-10(14)11(7)17-13(19)9-5-8(18(20)21)6-16-12(9)15/h2-6H,1H3,(H2,15,16)(H,17,19).
What are the key properties of 2-amino-N-(2-fluoro-6-methylphenyl)-5-nitropyridine-3-carboxamide?
2-amino-N-(2-fluoro-6-methylphenyl)-5-nitropyridine-3-carboxamide has a molecular weight of 290.25 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-fluoro-6-methylphenyl)-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 104625777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).