2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile

C9H6BrClF2N2 — CID 130075158

IUPAC2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(CBr)c(Cl)nc1C(F)F
InChIInChI=1S/C9H6BrClF2N2/c10-4-6-3-5(1-2-14)7(9(12)13)15-8(6)11/h3,9H,1,4H2
InChIKeyWASGJSFHCOWPIO-UHFFFAOYSA-N
MW295.51 g/mol
LogP3.63
Rot. Bonds3

About 2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile

2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile (PubChem CID 130075158) has the molecular formula C9H6BrClF2N2 and a molecular weight of 295.51 g/mol. Its IUPAC name is 2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
PubChem CID130075158
Molecular FormulaC9H6BrClF2N2
Molecular Weight295.51 g/mol
Exact Mass293.94
IUPAC Name2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(CBr)c(Cl)nc1C(F)F
InChIInChI=1S/C9H6BrClF2N2/c10-4-6-3-5(1-2-14)7(9(12)13)15-8(6)11/h3,9H,1,4H2
InChIKeyWASGJSFHCOWPIO-UHFFFAOYSA-N
XLogP3.63
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile 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-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075176
2-[5-(bromomethyl)-6-(difluoromethyl)-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 165342409
3-(bromomethyl)-2-chloro-6-(difluoromethyl)-5-iodopyridine
CID 130073132
2-[2-(bromomethyl)-6-chloro-5-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075151
2-[3-bromo-5-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070239
2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
CID 130074290
methyl 2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134674550
2-[2-chloro-6-(difluoromethyl)-5-nitro-3-pyridinyl]acetonitrile
CID 130074768
2-[2-(difluoromethyl)-5,6-difluoro-3-pyridinyl]acetonitrile
CID 119012339
2-[5-(aminomethyl)-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile
CID 130081614
2-[6-bromo-2-(difluoromethyl)-5-iodo-3-pyridinyl]acetonitrile
CID 130068327
2-[2-chloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119010061

Frequently Asked Questions

What is the IUPAC name of 2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile (CID 130075158) is 2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile is N#CCc1cc(CBr)c(Cl)nc1C(F)F.
What is the InChIKey of 2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile?
The InChIKey is WASGJSFHCOWPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClF2N2/c10-4-6-3-5(1-2-14)7(9(12)13)15-8(6)11/h3,9H,1,4H2.
What are the key properties of 2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile?
2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile has a molecular weight of 295.51 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 130075158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).