3-fluoro-N-(3-fluoro-5-nitrophenyl)pyridine-4-carboxamide

C12H7F2N3O3 — CID 107334867

IUPAC3-fluoro-N-(3-fluoro-5-nitrophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1ccncc1F
InChIInChI=1S/C12H7F2N3O3/c13-7-3-8(5-9(4-7)17(19)20)16-12(18)10-1-2-15-6-11(10)14/h1-6H,(H,16,18)
InChIKeyRCDDGZDRTMDPDI-UHFFFAOYSA-N
MW279.20 g/mol
LogP2.52
Rot. Bonds3

About 3-fluoro-N-(3-fluoro-5-nitrophenyl)pyridine-4-carboxamide

3-fluoro-N-(3-fluoro-5-nitrophenyl)pyridine-4-carboxamide (PubChem CID 107334867) has the molecular formula C12H7F2N3O3 and a molecular weight of 279.20 g/mol. Its IUPAC name is 3-fluoro-N-(3-fluoro-5-nitrophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(3-fluoro-5-nitrophenyl)pyridine-4-carboxamide
PubChem CID107334867
Molecular FormulaC12H7F2N3O3
Molecular Weight279.20 g/mol
Exact Mass279.05
IUPAC Name3-fluoro-N-(3-fluoro-5-nitrophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1ccncc1F
InChIInChI=1S/C12H7F2N3O3/c13-7-3-8(5-9(4-7)17(19)20)16-12(18)10-1-2-15-6-11(10)14/h1-6H,(H,16,18)
InChIKeyRCDDGZDRTMDPDI-UHFFFAOYSA-N
XLogP2.52
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 52.52
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-(3-fluoro-5-nitrophenyl)-3-hydrazinylpyridine-4-carboxamide
CID 107335631
N-(2,4-difluoro-6-nitrophenyl)-3-fluoropyridine-4-carboxamide
CID 105066591
2-chloro-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 107334861
N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide
CID 115645307
N-(3-fluoro-5-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107335632
N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide
CID 82885551
6-bromo-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 107334878
N-(4-chloro-2-nitrophenyl)-3-fluoropyridine-4-carboxamide
CID 105066534
2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylbenzamide
CID 107335598
2-fluoro-5-nitro-N-pyridin-4-ylbenzamide
CID 43377474
4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylbenzamide
CID 107334858
5-amino-N-(3-fluoro-5-nitrophenyl)pyrazine-2-carboxamide
CID 107377381

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-fluoro-5-nitrophenyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(3-fluoro-5-nitrophenyl)pyridine-4-carboxamide (CID 107334867) is 3-fluoro-N-(3-fluoro-5-nitrophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(3-fluoro-5-nitrophenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(3-fluoro-5-nitrophenyl)pyridine-4-carboxamide is O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-(3-fluoro-5-nitrophenyl)pyridine-4-carboxamide?
The InChIKey is RCDDGZDRTMDPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N3O3/c13-7-3-8(5-9(4-7)17(19)20)16-12(18)10-1-2-15-6-11(10)14/h1-6H,(H,16,18).
What are the key properties of 3-fluoro-N-(3-fluoro-5-nitrophenyl)pyridine-4-carboxamide?
3-fluoro-N-(3-fluoro-5-nitrophenyl)pyridine-4-carboxamide has a molecular weight of 279.20 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-fluoro-5-nitrophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 107334867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).