4-(2,3,5-trifluoroanilino)pyridine-2-carbonitrile

C12H6F3N3 — CID 62937273

IUPAC4-(2,3,5-trifluoroanilino)pyridine-2-carbonitrile
SMILESN#Cc1cc(Nc2cc(F)cc(F)c2F)ccn1
InChIInChI=1S/C12H6F3N3/c13-7-3-10(14)12(15)11(4-7)18-8-1-2-17-9(5-8)6-16/h1-5H,(H,17,18)
InChIKeyKAYUITAMEBPMTR-UHFFFAOYSA-N
MW249.20 g/mol
LogP3.11
Rot. Bonds2

About 4-(2,3,5-trifluoroanilino)pyridine-2-carbonitrile

4-(2,3,5-trifluoroanilino)pyridine-2-carbonitrile (PubChem CID 62937273) has the molecular formula C12H6F3N3 and a molecular weight of 249.20 g/mol. Its IUPAC name is 4-(2,3,5-trifluoroanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(2,3,5-trifluoroanilino)pyridine-2-carbonitrile
PubChem CID62937273
Molecular FormulaC12H6F3N3
Molecular Weight249.20 g/mol
Exact Mass249.05
IUPAC Name4-(2,3,5-trifluoroanilino)pyridine-2-carbonitrile
SMILESN#Cc1cc(Nc2cc(F)cc(F)c2F)ccn1
InChIInChI=1S/C12H6F3N3/c13-7-3-10(14)12(15)11(4-7)18-8-1-2-17-9(5-8)6-16/h1-5H,(H,17,18)
InChIKeyKAYUITAMEBPMTR-UHFFFAOYSA-N
XLogP3.11
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile
CID 62927040
4-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile
CID 82818029
4-(4-fluoro-2-methoxyanilino)pyridine-2-carbonitrile
CID 55156098
4-(2,5-dichloroanilino)pyridine-2-carbonitrile
CID 62926848
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
2-bromo-4-(2,3,5-trifluoroanilino)benzonitrile
CID 107276295
3-fluoro-5-(2,3,5-trifluoroanilino)benzonitrile
CID 102816232
4-(3-fluoro-4-methoxyanilino)pyridine-2-carbonitrile
CID 62927039
4-hydrazinylpyridine-2-carbonitrile
CID 62925156
4-(2,4-dimethoxyanilino)pyridine-2-carbonitrile
CID 62926532
5-fluoro-2-[[2-(methylamino)-4-pyridinyl]amino]benzonitrile
CID 113368000
4-(3-aminopropylamino)pyridine-2-carbonitrile
CID 62926383

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5-trifluoroanilino)pyridine-2-carbonitrile?
The IUPAC name of 4-(2,3,5-trifluoroanilino)pyridine-2-carbonitrile (CID 62937273) is 4-(2,3,5-trifluoroanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(2,3,5-trifluoroanilino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(2,3,5-trifluoroanilino)pyridine-2-carbonitrile is N#Cc1cc(Nc2cc(F)cc(F)c2F)ccn1.
What is the InChIKey of 4-(2,3,5-trifluoroanilino)pyridine-2-carbonitrile?
The InChIKey is KAYUITAMEBPMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3N3/c13-7-3-10(14)12(15)11(4-7)18-8-1-2-17-9(5-8)6-16/h1-5H,(H,17,18).
What are the key properties of 4-(2,3,5-trifluoroanilino)pyridine-2-carbonitrile?
4-(2,3,5-trifluoroanilino)pyridine-2-carbonitrile has a molecular weight of 249.20 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5-trifluoroanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 62937273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).