6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide

C12H9FN4O3 — CID 62155644

IUPAC6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
SMILESNc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cn1
InChIInChI=1S/C12H9FN4O3/c13-9-3-2-8(17(19)20)5-10(9)16-12(18)7-1-4-11(14)15-6-7/h1-6H,(H2,14,15)(H,16,18)
InChIKeyOEOKGFCBUBLNIM-UHFFFAOYSA-N
MW276.23 g/mol
LogP1.96
Rot. Bonds3

About 6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide

6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide (PubChem CID 62155644) has the molecular formula C12H9FN4O3 and a molecular weight of 276.23 g/mol. Its IUPAC name is 6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
PubChem CID62155644
Molecular FormulaC12H9FN4O3
Molecular Weight276.23 g/mol
Exact Mass276.07
IUPAC Name6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
SMILESNc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cn1
InChIInChI=1S/C12H9FN4O3/c13-9-3-2-8(17(19)20)5-10(9)16-12(18)7-1-4-11(14)15-6-7/h1-6H,(H2,14,15)(H,16,18)
InChIKeyOEOKGFCBUBLNIM-UHFFFAOYSA-N
XLogP1.96
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 51.96
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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Related Compounds

6-amino-N-(2,5-difluorophenyl)pyridine-3-carboxamide
CID 62152342
4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 81238388
N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide
CID 18190863
6-amino-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 62155230
4-amino-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
CID 62155643
N-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide
CID 62901689
N-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107378095
4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide
CID 3342317
N-(2-fluoro-5-nitrophenyl)-3-methoxy-4-methylbenzamide
CID 134044498
N-(2-fluoro-5-nitrophenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952710
4-amino-3-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 107744674
2-amino-N-(2-fluoro-5-nitrophenyl)-5-methylbenzamide
CID 62510366

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide (CID 62155644) is 6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide is Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cn1.
What is the InChIKey of 6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is OEOKGFCBUBLNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O3/c13-9-3-2-8(17(19)20)5-10(9)16-12(18)7-1-4-11(14)15-6-7/h1-6H,(H2,14,15)(H,16,18).
What are the key properties of 6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide?
6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide has a molecular weight of 276.23 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 62155644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).