2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile

C9H4BrF5N2O — CID 118804476

IUPAC2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1c(C(F)F)cnc(CBr)c1OC(F)(F)F
InChIInChI=1S/C9H4BrF5N2O/c10-1-6-7(18-9(13,14)15)4(2-16)5(3-17-6)8(11)12/h3,8H,1H2
InChIKeyUHZDYJGJHMTKPR-UHFFFAOYSA-N
MW331.04 g/mol
LogP3.68
Rot. Bonds3

About 2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile

2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile (PubChem CID 118804476) has the molecular formula C9H4BrF5N2O and a molecular weight of 331.04 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
PubChem CID118804476
Molecular FormulaC9H4BrF5N2O
Molecular Weight331.04 g/mol
Exact Mass329.94
IUPAC Name2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1c(C(F)F)cnc(CBr)c1OC(F)(F)F
InChIInChI=1S/C9H4BrF5N2O/c10-1-6-7(18-9(13,14)15)4(2-16)5(3-17-6)8(11)12/h3,8H,1H2
InChIKeyUHZDYJGJHMTKPR-UHFFFAOYSA-N
XLogP3.68
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.04
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-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-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134667801
6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118826916
2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118827001
2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carbonitrile
CID 130078210
2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile
CID 130077319
2-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118810078
2-(bromomethyl)-3-(difluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine
CID 134668841
2-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118804455
4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118828849
2-(cyanomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carbonitrile
CID 118816708
2-[6-(bromomethyl)-4-methyl-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118843867
2-(bromomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118843950

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile (CID 118804476) is 2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile is N#Cc1c(C(F)F)cnc(CBr)c1OC(F)(F)F.
What is the InChIKey of 2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile?
The InChIKey is UHZDYJGJHMTKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF5N2O/c10-1-6-7(18-9(13,14)15)4(2-16)5(3-17-6)8(11)12/h3,8H,1H2.
What are the key properties of 2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile?
2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile has a molecular weight of 331.04 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 118804476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).