2-[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile

C9H6BrClF2N2 — CID 130070560

IUPAC2-[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1c(Br)cc(C(F)F)nc1CCl
InChIInChI=1S/C9H6BrClF2N2/c10-6-3-7(9(12)13)15-8(4-11)5(6)1-2-14/h3,9H,1,4H2
InChIKeySGDDIMALQMORHD-UHFFFAOYSA-N
MW295.51 g/mol
LogP3.59
Rot. Bonds3

About 2-[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile

2-[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile (PubChem CID 130070560) has the molecular formula C9H6BrClF2N2 and a molecular weight of 295.51 g/mol. Its IUPAC name is 2-[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
PubChem CID130070560
Molecular FormulaC9H6BrClF2N2
Molecular Weight295.51 g/mol
Exact Mass293.94
IUPAC Name2-[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1c(Br)cc(C(F)F)nc1CCl
InChIInChI=1S/C9H6BrClF2N2/c10-6-3-7(9(12)13)15-8(4-11)5(6)1-2-14/h3,9H,1,4H2
InChIKeySGDDIMALQMORHD-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-bromo-2-(chloromethyl)-6-(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-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130070245
[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]methanol
CID 130070605
2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile
CID 130090400
2-[2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 118999659
2-[4-bromo-6-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070557
4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridine
CID 130068807
2-[2-(aminomethyl)-6-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
CID 118825820
2-[4-chloro-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
CID 118845077
4-bromo-3-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130108824
2-[3-(bromomethyl)-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile
CID 130087094
2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine-4-carbonitrile
CID 130077370
4-chloro-2-(cyanomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
CID 130071242

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile (CID 130070560) is 2-[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile is N#CCc1c(Br)cc(C(F)F)nc1CCl.
What is the InChIKey of 2-[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile?
The InChIKey is SGDDIMALQMORHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClF2N2/c10-6-3-7(9(12)13)15-8(4-11)5(6)1-2-14/h3,9H,1,4H2.
What are the key properties of 2-[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile?
2-[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile has a molecular weight of 295.51 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 130070560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).