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

C12H8FN3O3 — CID 110461612

IUPACN-(5-fluoro-2-nitrophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C12H8FN3O3/c13-8-4-5-11(16(18)19)10(7-8)15-12(17)9-3-1-2-6-14-9/h1-7H,(H,15,17)
InChIKeyPDFLTDRZIJGVEZ-UHFFFAOYSA-N
MW261.21 g/mol
LogP2.38
Rot. Bonds3

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

N-(5-fluoro-2-nitrophenyl)pyridine-2-carboxamide (PubChem CID 110461612) has the molecular formula C12H8FN3O3 and a molecular weight of 261.21 g/mol. Its IUPAC name is N-(5-fluoro-2-nitrophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-nitrophenyl)pyridine-2-carboxamide
PubChem CID110461612
Molecular FormulaC12H8FN3O3
Molecular Weight261.21 g/mol
Exact Mass261.05
IUPAC NameN-(5-fluoro-2-nitrophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C12H8FN3O3/c13-8-4-5-11(16(18)19)10(7-8)15-12(17)9-3-1-2-6-14-9/h1-7H,(H,15,17)
InChIKeyPDFLTDRZIJGVEZ-UHFFFAOYSA-N
XLogP2.38
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2,4-difluorobenzoyl)amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55834647
N-(5-fluoro-2-nitrophenyl)-3-hydroxybenzamide
CID 110462704
N-(5-fluoro-2-nitrophenyl)-2-methyl-1H-imidazole-5-carboxamide
CID 110467600
2,6-dichloro-N-(5-fluoro-2-nitrophenyl)pyridine-3-carboxamide
CID 106994147
5-fluoro-N-(2-methyl-3-pyridinyl)-2-nitrobenzamide
CID 79041873
N-(8-cyano-5-nitronaphthalen-1-yl)pyridine-2-carboxamide
CID 139242181
3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide
CID 107952917
2,4-difluoro-N-(2-nitrophenyl)benzamide
CID 4779161
4-(3-chloro-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)benzamide
CID 11485559
3-bromo-4-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide
CID 107952918
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
1-[(5-fluoro-2-nitrophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide
CID 19280590

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-nitrophenyl)pyridine-2-carboxamide?
The IUPAC name of N-(5-fluoro-2-nitrophenyl)pyridine-2-carboxamide (CID 110461612) is N-(5-fluoro-2-nitrophenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-nitrophenyl)pyridine-2-carboxamide?
The canonical SMILES for N-(5-fluoro-2-nitrophenyl)pyridine-2-carboxamide is O=C(Nc1cc(F)ccc1[N+](=O)[O-])c1ccccn1.
What is the InChIKey of N-(5-fluoro-2-nitrophenyl)pyridine-2-carboxamide?
The InChIKey is PDFLTDRZIJGVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O3/c13-8-4-5-11(16(18)19)10(7-8)15-12(17)9-3-1-2-6-14-9/h1-7H,(H,15,17).
What are the key properties of N-(5-fluoro-2-nitrophenyl)pyridine-2-carboxamide?
N-(5-fluoro-2-nitrophenyl)pyridine-2-carboxamide has a molecular weight of 261.21 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-nitrophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 110461612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).