5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile

C14H10F3N3 — CID 167619040

IUPAC5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F3N3/c15-14(16,17)11-3-1-9(2-4-11)5-13-10(7-18)6-12(19)8-20-13/h1-4,6,8H,5,19H2
InChIKeyCLZIDEDTZBNZCL-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.15
Rot. Bonds2

About 5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile

5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile (PubChem CID 167619040) has the molecular formula C14H10F3N3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile
PubChem CID167619040
Molecular FormulaC14H10F3N3
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F3N3/c15-14(16,17)11-3-1-9(2-4-11)5-13-10(7-18)6-12(19)8-20-13/h1-4,6,8H,5,19H2
InChIKeyCLZIDEDTZBNZCL-UHFFFAOYSA-N
XLogP3.15
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile (CID 167619040) is 5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile is N#Cc1cc(N)cnc1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile?
The InChIKey is CLZIDEDTZBNZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3/c15-14(16,17)11-3-1-9(2-4-11)5-13-10(7-18)6-12(19)8-20-13/h1-4,6,8H,5,19H2.
What are the key properties of 5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile?
5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile has a molecular weight of 277.25 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 167619040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).