6-[[4-(trifluoromethyl)phenyl]methoxymethyl]pyridine-2-carbonitrile

C15H11F3N2O — CID 122476956

IUPAC6-[[4-(trifluoromethyl)phenyl]methoxymethyl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(COCc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H11F3N2O/c16-15(17,18)12-6-4-11(5-7-12)9-21-10-14-3-1-2-13(8-19)20-14/h1-7H,9-10H2
InChIKeyZFWQSPLPKCNIBE-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.69
Rot. Bonds4

About 6-[[4-(trifluoromethyl)phenyl]methoxymethyl]pyridine-2-carbonitrile

6-[[4-(trifluoromethyl)phenyl]methoxymethyl]pyridine-2-carbonitrile (PubChem CID 122476956) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 6-[[4-(trifluoromethyl)phenyl]methoxymethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[4-(trifluoromethyl)phenyl]methoxymethyl]pyridine-2-carbonitrile
PubChem CID122476956
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name6-[[4-(trifluoromethyl)phenyl]methoxymethyl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(COCc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H11F3N2O/c16-15(17,18)12-6-4-11(5-7-12)9-21-10-14-3-1-2-13(8-19)20-14/h1-7H,9-10H2
InChIKeyZFWQSPLPKCNIBE-UHFFFAOYSA-N
XLogP3.69
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(pyridin-4-yloxymethyl)pyridine-2-carbonitrile
CID 167748201
5-[2-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,3-thiazol-4-yl]-2H-triazole-4-carbonitrile
CID 122478531
2-fluoro-6-[[4-(trifluoromethyl)phenyl]methoxy]benzonitrile
CID 18525684
N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11611930
6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile
CID 118427625
6-(2-cyanoethyl)pyridine-2-carbonitrile
CID 22939408
ethane;5-[4-(trifluoromethyl)phenoxy]quinoline-2-carbonitrile
CID 155713235
[4-(trifluoromethyl)phenyl]methoxyazanium
CID 3744378
5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 90325815
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 3809622
4-amino-6-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile
CID 171850900
7-(trifluoromethyl)quinoline-2-carbonitrile
CID 75355798

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(trifluoromethyl)phenyl]methoxymethyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[[4-(trifluoromethyl)phenyl]methoxymethyl]pyridine-2-carbonitrile (CID 122476956) is 6-[[4-(trifluoromethyl)phenyl]methoxymethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[4-(trifluoromethyl)phenyl]methoxymethyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[4-(trifluoromethyl)phenyl]methoxymethyl]pyridine-2-carbonitrile is N#Cc1cccc(COCc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 6-[[4-(trifluoromethyl)phenyl]methoxymethyl]pyridine-2-carbonitrile?
The InChIKey is ZFWQSPLPKCNIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c16-15(17,18)12-6-4-11(5-7-12)9-21-10-14-3-1-2-13(8-19)20-14/h1-7H,9-10H2.
What are the key properties of 6-[[4-(trifluoromethyl)phenyl]methoxymethyl]pyridine-2-carbonitrile?
6-[[4-(trifluoromethyl)phenyl]methoxymethyl]pyridine-2-carbonitrile has a molecular weight of 292.26 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(trifluoromethyl)phenyl]methoxymethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 122476956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).