4-amino-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide

C12H9FN4O3 — CID 62155643

IUPAC4-amino-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
SMILESNc1ccnc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1
InChIInChI=1S/C12H9FN4O3/c13-9-2-1-8(17(19)20)6-10(9)16-12(18)11-5-7(14)3-4-15-11/h1-6H,(H2,14,15)(H,16,18)
InChIKeyYHLCFJYXTKLZJD-UHFFFAOYSA-N
MW276.23 g/mol
LogP1.96
Rot. Bonds3

About 4-amino-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide

4-amino-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide (PubChem CID 62155643) has the molecular formula C12H9FN4O3 and a molecular weight of 276.23 g/mol. Its IUPAC name is 4-amino-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
PubChem CID62155643
Molecular FormulaC12H9FN4O3
Molecular Weight276.23 g/mol
Exact Mass276.07
IUPAC Name4-amino-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
SMILESNc1ccnc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1
InChIInChI=1S/C12H9FN4O3/c13-9-2-1-8(17(19)20)6-10(9)16-12(18)11-5-7(14)3-4-15-11/h1-6H,(H2,14,15)(H,16,18)
InChIKeyYHLCFJYXTKLZJD-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

N-(2-fluoro-5-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62044834
4-amino-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 62155055
N-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107378095
6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 62155644
3-[(2-fluoro-5-nitrophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369206
6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
CID 115496793
2-chloro-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 17102140
N-(5-amino-2-fluorophenyl)-2-[2-[(2-fluoro-5-nitrophenyl)carbamoyl]phenyl]benzamide
CID 67556047
4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 81238388
2-amino-N-(2-fluoro-5-nitrophenyl)-5-methylbenzamide
CID 62510366
4-amino-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 62154867
4-chloro-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 43385379

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-amino-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide (CID 62155643) is 4-amino-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide is Nc1ccnc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1.
What is the InChIKey of 4-amino-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide?
The InChIKey is YHLCFJYXTKLZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O3/c13-9-2-1-8(17(19)20)6-10(9)16-12(18)11-5-7(14)3-4-15-11/h1-6H,(H2,14,15)(H,16,18).
What are the key properties of 4-amino-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide?
4-amino-N-(2-fluoro-5-nitrophenyl)pyridine-2-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 4-amino-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 62155643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).