2-[(4-bromophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile

C14H8BrF3N2O — CID 82807332

IUPAC2-[(4-bromophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1OCc1ccc(Br)cc1
InChIInChI=1S/C14H8BrF3N2O/c15-11-4-1-9(2-5-11)8-21-13-10(7-19)3-6-12(20-13)14(16,17)18/h1-6H,8H2
InChIKeyJWWPYUDKZIUGFI-UHFFFAOYSA-N
MW357.13 g/mol
LogP4.31
Rot. Bonds3

About 2-[(4-bromophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[(4-bromophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 82807332) has the molecular formula C14H8BrF3N2O and a molecular weight of 357.13 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-bromophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID82807332
Molecular FormulaC14H8BrF3N2O
Molecular Weight357.13 g/mol
Exact Mass355.98
IUPAC Name2-[(4-bromophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1OCc1ccc(Br)cc1
InChIInChI=1S/C14H8BrF3N2O/c15-11-4-1-9(2-5-11)8-21-13-10(7-19)3-6-12(20-13)14(16,17)18/h1-6H,8H2
InChIKeyJWWPYUDKZIUGFI-UHFFFAOYSA-N
XLogP4.31
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.13
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(4-bromophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873398
2-(pyridin-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873370
6-(trifluoromethyl)-2-(3,3,3-trifluoropropoxy)pyridine-3-carbonitrile
CID 82955844
2-(furan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869558
2-(cyclopropylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873515
3-amino-2-[(4-bromophenyl)methoxy]pyridine-4-carbonitrile
CID 82828614
2-[(1-aminocyclopentyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877225
2-pent-4-enoxy-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877373
2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 103177581
2-(oxolan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869488
4-bromo-2-[(4-bromophenyl)methoxy]benzonitrile
CID 114902529
2-(oxan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869424

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[(4-bromophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 82807332) is 2-[(4-bromophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4-bromophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[(4-bromophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1OCc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is JWWPYUDKZIUGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF3N2O/c15-11-4-1-9(2-5-11)8-21-13-10(7-19)3-6-12(20-13)14(16,17)18/h1-6H,8H2.
What are the key properties of 2-[(4-bromophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[(4-bromophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 357.13 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 82807332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).