2-(3,4-difluoroanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile

C13H6F5N3 — CID 79874742

IUPAC2-(3,4-difluoroanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H6F5N3/c14-9-3-2-8(5-10(9)15)20-12-7(6-19)1-4-11(21-12)13(16,17)18/h1-5H,(H,20,21)
InChIKeyLZALZAHPNCYUKM-UHFFFAOYSA-N
MW299.20 g/mol
LogP3.99
Rot. Bonds2

About 2-(3,4-difluoroanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(3,4-difluoroanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79874742) has the molecular formula C13H6F5N3 and a molecular weight of 299.20 g/mol. Its IUPAC name is 2-(3,4-difluoroanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,4-difluoroanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79874742
Molecular FormulaC13H6F5N3
Molecular Weight299.20 g/mol
Exact Mass299.05
IUPAC Name2-(3,4-difluoroanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H6F5N3/c14-9-3-2-8(5-10(9)15)20-12-7(6-19)1-4-11(21-12)13(16,17)18/h1-5H,(H,20,21)
InChIKeyLZALZAHPNCYUKM-UHFFFAOYSA-N
XLogP3.99
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79874745
2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966207
2-(2-chloroanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869678
2-(3,4-difluoroanilino)-5-fluorobenzonitrile
CID 63668514
2-(4-fluoro-3-methoxyanilino)-6-methylpyridine-3-carbonitrile
CID 114839862
2-[(4-methyl-3-pyridinyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79868944
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966408
6-(trifluoromethyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-3-carbonitrile
CID 106213558
2-anilino-6-tert-butylpyridine-3-carbonitrile
CID 167790421
2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78965942
methyl 2-fluoro-4-[[3-nitro-6-(trifluoromethyl)-2-pyridinyl]amino]benzoate
CID 172532230
2-[2-fluoro-5-(trifluoromethyl)anilino]-6-methylpyridine-3-carbonitrile
CID 63037715

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoroanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(3,4-difluoroanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79874742) is 2-(3,4-difluoroanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3,4-difluoroanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(3,4-difluoroanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluoroanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is LZALZAHPNCYUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F5N3/c14-9-3-2-8(5-10(9)15)20-12-7(6-19)1-4-11(21-12)13(16,17)18/h1-5H,(H,20,21).
What are the key properties of 2-(3,4-difluoroanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(3,4-difluoroanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 299.20 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoroanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79874742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).