3-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile

C9H4BrF5N2 — CID 133106766

IUPAC3-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)F)c(C(F)(F)F)cc1CBr
InChIInChI=1S/C9H4BrF5N2/c10-2-4-1-5(9(13,14)15)7(8(11)12)17-6(4)3-16/h1,8H,2H2
InChIKeyFZKVIKNQDWFSBP-UHFFFAOYSA-N
MW315.04 g/mol
LogP3.80
Rot. Bonds2

About 3-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile

3-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 133106766) has the molecular formula C9H4BrF5N2 and a molecular weight of 315.04 g/mol. Its IUPAC name is 3-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID133106766
Molecular FormulaC9H4BrF5N2
Molecular Weight315.04 g/mol
Exact Mass313.95
IUPAC Name3-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)F)c(C(F)(F)F)cc1CBr
InChIInChI=1S/C9H4BrF5N2/c10-2-4-1-5(9(13,14)15)7(8(11)12)17-6(4)3-16/h1,8H,2H2
InChIKeyFZKVIKNQDWFSBP-UHFFFAOYSA-N
XLogP3.80
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.04
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-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

6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 134685020
6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 130077423
2-[2-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118815881
5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridine
CID 130087042
5-(bromomethyl)-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130075134
4-(bromomethyl)-2,5-bis(trifluoromethyl)benzonitrile
CID 134618135
3-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130108807
6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 119017989
2-[6-(difluoromethyl)-2-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133099058
3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 130108635
4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130071160
6-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 134668697

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile (CID 133106766) is 3-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1nc(C(F)F)c(C(F)(F)F)cc1CBr.
What is the InChIKey of 3-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is FZKVIKNQDWFSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF5N2/c10-2-4-1-5(9(13,14)15)7(8(11)12)17-6(4)3-16/h1,8H,2H2.
What are the key properties of 3-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile?
3-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 315.04 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 133106766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).