N-(2,4-difluoro-6-nitrophenyl)-3-fluoropyridine-4-carboxamide

C12H6F3N3O3 — CID 105066591

IUPACN-(2,4-difluoro-6-nitrophenyl)-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1c(F)cc(F)cc1[N+](=O)[O-])c1ccncc1F
InChIInChI=1S/C12H6F3N3O3/c13-6-3-8(14)11(10(4-6)18(20)21)17-12(19)7-1-2-16-5-9(7)15/h1-5H,(H,17,19)
InChIKeyWNJHUGRONWTIDX-UHFFFAOYSA-N
MW297.19 g/mol
LogP2.66
Rot. Bonds3

About N-(2,4-difluoro-6-nitrophenyl)-3-fluoropyridine-4-carboxamide

N-(2,4-difluoro-6-nitrophenyl)-3-fluoropyridine-4-carboxamide (PubChem CID 105066591) has the molecular formula C12H6F3N3O3 and a molecular weight of 297.19 g/mol. Its IUPAC name is N-(2,4-difluoro-6-nitrophenyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluoro-6-nitrophenyl)-3-fluoropyridine-4-carboxamide
PubChem CID105066591
Molecular FormulaC12H6F3N3O3
Molecular Weight297.19 g/mol
Exact Mass297.04
IUPAC NameN-(2,4-difluoro-6-nitrophenyl)-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1c(F)cc(F)cc1[N+](=O)[O-])c1ccncc1F
InChIInChI=1S/C12H6F3N3O3/c13-6-3-8(14)11(10(4-6)18(20)21)17-12(19)7-1-2-16-5-9(7)15/h1-5H,(H,17,19)
InChIKeyWNJHUGRONWTIDX-UHFFFAOYSA-N
XLogP2.66
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 52.66
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

3-fluoro-N-(3-fluoro-5-nitrophenyl)pyridine-4-carboxamide
CID 107334867
2,5-difluoro-N-(3-fluoro-4-pyridinyl)-3-nitrobenzamide
CID 107594868
N-(4-chloro-2-nitrophenyl)-3-fluoropyridine-4-carboxamide
CID 105066534
3-fluoro-N-(4-methyl-2-nitrophenyl)pyridine-4-carboxamide
CID 105066539
N-(2,4-difluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 81311633
3-fluoro-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-4-carboxamide
CID 71849348
6-bromo-N-(2,4-difluoro-6-nitrophenyl)pyridine-3-carboxamide
CID 81306494
2,5-dibromo-N-(2,4-difluoro-6-nitrophenyl)thiophene-3-carboxamide
CID 107962301
4-amino-N-(2,4-difluoro-6-nitrophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 81310187
N-(2,4-difluoro-6-nitrophenyl)imidazole-1-carboxamide
CID 81311489
N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide
CID 81313213
2-amino-N-(2,4-difluoro-6-nitrophenyl)acetamide
CID 81310994

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-6-nitrophenyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(2,4-difluoro-6-nitrophenyl)-3-fluoropyridine-4-carboxamide (CID 105066591) is N-(2,4-difluoro-6-nitrophenyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(2,4-difluoro-6-nitrophenyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(2,4-difluoro-6-nitrophenyl)-3-fluoropyridine-4-carboxamide is O=C(Nc1c(F)cc(F)cc1[N+](=O)[O-])c1ccncc1F.
What is the InChIKey of N-(2,4-difluoro-6-nitrophenyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is WNJHUGRONWTIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3N3O3/c13-6-3-8(14)11(10(4-6)18(20)21)17-12(19)7-1-2-16-5-9(7)15/h1-5H,(H,17,19).
What are the key properties of N-(2,4-difluoro-6-nitrophenyl)-3-fluoropyridine-4-carboxamide?
N-(2,4-difluoro-6-nitrophenyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 297.19 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-6-nitrophenyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 105066591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).