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

C12H9FN4O3 — CID 107335605

IUPAC6-amino-N-(3-fluoro-5-nitrophenyl)pyridine-2-carboxamide
SMILESNc1cccc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)n1
InChIInChI=1S/C12H9FN4O3/c13-7-4-8(6-9(5-7)17(19)20)15-12(18)10-2-1-3-11(14)16-10/h1-6H,(H2,14,16)(H,15,18)
InChIKeyFELMGJFNBIOESR-UHFFFAOYSA-N
MW276.23 g/mol
LogP1.96
Rot. Bonds3

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

6-amino-N-(3-fluoro-5-nitrophenyl)pyridine-2-carboxamide (PubChem CID 107335605) has the molecular formula C12H9FN4O3 and a molecular weight of 276.23 g/mol. Its IUPAC name is 6-amino-N-(3-fluoro-5-nitrophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-(3-fluoro-5-nitrophenyl)pyridine-2-carboxamide
PubChem CID107335605
Molecular FormulaC12H9FN4O3
Molecular Weight276.23 g/mol
Exact Mass276.07
IUPAC Name6-amino-N-(3-fluoro-5-nitrophenyl)pyridine-2-carboxamide
SMILESNc1cccc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)n1
InChIInChI=1S/C12H9FN4O3/c13-7-4-8(6-9(5-7)17(19)20)15-12(18)10-2-1-3-11(14)16-10/h1-6H,(H2,14,16)(H,15,18)
InChIKeyFELMGJFNBIOESR-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

5-amino-N-(3-fluoro-5-nitrophenyl)pyrazine-2-carboxamide
CID 107377381
2-chloro-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 107334861
2-amino-N-(3-fluoro-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 107335092
N-(3-fluoro-5-nitrophenyl)furan-2-carboxamide
CID 107335365
2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylbenzamide
CID 107335598
6-amino-N-(2-methoxy-5-nitrophenyl)pyridine-2-carboxamide
CID 62240083
4-(chloromethyl)-N-(3-fluoro-5-nitrophenyl)benzamide
CID 107334780
N-(3,5-difluorophenyl)-3-nitrobenzamide
CID 2990730
3-fluoro-N-(3-fluoro-5-nitrophenyl)pyridine-4-carboxamide
CID 107334867
N-(3-fluoro-5-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107335632
6-amino-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide
CID 62239653
4-bromo-3-chloro-N-(3-fluoro-5-nitrophenyl)benzamide
CID 107335305

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-fluoro-5-nitrophenyl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-(3-fluoro-5-nitrophenyl)pyridine-2-carboxamide (CID 107335605) is 6-amino-N-(3-fluoro-5-nitrophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-(3-fluoro-5-nitrophenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-(3-fluoro-5-nitrophenyl)pyridine-2-carboxamide is Nc1cccc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)n1.
What is the InChIKey of 6-amino-N-(3-fluoro-5-nitrophenyl)pyridine-2-carboxamide?
The InChIKey is FELMGJFNBIOESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O3/c13-7-4-8(6-9(5-7)17(19)20)15-12(18)10-2-1-3-11(14)16-10/h1-6H,(H2,14,16)(H,15,18).
What are the key properties of 6-amino-N-(3-fluoro-5-nitrophenyl)pyridine-2-carboxamide?
6-amino-N-(3-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 6-amino-N-(3-fluoro-5-nitrophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 107335605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).