6-(3,4,5-trifluoroanilino)pyridine-3-carbonitrile

C12H6F3N3 — CID 55119031

IUPAC6-(3,4,5-trifluoroanilino)pyridine-3-carbonitrile
SMILESN#Cc1ccc(Nc2cc(F)c(F)c(F)c2)nc1
InChIInChI=1S/C12H6F3N3/c13-9-3-8(4-10(14)12(9)15)18-11-2-1-7(5-16)6-17-11/h1-4,6H,(H,17,18)
InChIKeyZIQVAKRBBOAFNH-UHFFFAOYSA-N
MW249.20 g/mol
LogP3.11
Rot. Bonds2

About 6-(3,4,5-trifluoroanilino)pyridine-3-carbonitrile

6-(3,4,5-trifluoroanilino)pyridine-3-carbonitrile (PubChem CID 55119031) has the molecular formula C12H6F3N3 and a molecular weight of 249.20 g/mol. Its IUPAC name is 6-(3,4,5-trifluoroanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3,4,5-trifluoroanilino)pyridine-3-carbonitrile
PubChem CID55119031
Molecular FormulaC12H6F3N3
Molecular Weight249.20 g/mol
Exact Mass249.05
IUPAC Name6-(3,4,5-trifluoroanilino)pyridine-3-carbonitrile
SMILESN#Cc1ccc(Nc2cc(F)c(F)c(F)c2)nc1
InChIInChI=1S/C12H6F3N3/c13-9-3-8(4-10(14)12(9)15)18-11-2-1-7(5-16)6-17-11/h1-4,6H,(H,17,18)
InChIKeyZIQVAKRBBOAFNH-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_2', 'substructure': 'N/A'}

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Related Compounds

6-(2,6-dichloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 83078578
6-(2-chloro-4,6-difluoroanilino)pyridine-3-carbonitrile
CID 83087105
6-(pyridin-3-ylamino)pyridine-3-carbonitrile
CID 24690625
3-amino-6-(3,4,5-trifluoroanilino)pyridine-2-carbonitrile
CID 103468291
6-(3,4,5-trifluoroanilino)pyridine-3-carbothioamide
CID 62813563
6-(quinolin-6-ylamino)pyridine-3-carbonitrile
CID 62634612
6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbonitrile
CID 24691649
6-(2,4-dibromoanilino)pyridine-3-carbonitrile
CID 54953901
6-[(2-methyl-1,3-benzothiazol-6-yl)amino]pyridine-3-carbonitrile
CID 47150241
N-(5-cyano-2-pyridinyl)formamide
CID 64992105
6-(5-bromo-2-iodoanilino)pyridine-3-carbonitrile
CID 114260197
6-[(2-chloro-6-methylpyrimidin-4-yl)amino]pyridine-3-carbonitrile
CID 86621532

Frequently Asked Questions

What is the IUPAC name of 6-(3,4,5-trifluoroanilino)pyridine-3-carbonitrile?
The IUPAC name of 6-(3,4,5-trifluoroanilino)pyridine-3-carbonitrile (CID 55119031) is 6-(3,4,5-trifluoroanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3,4,5-trifluoroanilino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3,4,5-trifluoroanilino)pyridine-3-carbonitrile is N#Cc1ccc(Nc2cc(F)c(F)c(F)c2)nc1.
What is the InChIKey of 6-(3,4,5-trifluoroanilino)pyridine-3-carbonitrile?
The InChIKey is ZIQVAKRBBOAFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3N3/c13-9-3-8(4-10(14)12(9)15)18-11-2-1-7(5-16)6-17-11/h1-4,6H,(H,17,18).
What are the key properties of 6-(3,4,5-trifluoroanilino)pyridine-3-carbonitrile?
6-(3,4,5-trifluoroanilino)pyridine-3-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 6-(3,4,5-trifluoroanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 55119031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).