2-[4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile

C9H6BrClF2N2 — CID 130075176

IUPAC2-[4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1c(CBr)cc(Cl)nc1C(F)F
InChIInChI=1S/C9H6BrClF2N2/c10-4-5-3-7(11)15-8(9(12)13)6(5)1-2-14/h3,9H,1,4H2
InChIKeyFORCNNDEXIXROB-UHFFFAOYSA-N
MW295.51 g/mol
LogP3.63
Rot. Bonds3

About 2-[4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile

2-[4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile (PubChem CID 130075176) has the molecular formula C9H6BrClF2N2 and a molecular weight of 295.51 g/mol. Its IUPAC name is 2-[4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
PubChem CID130075176
Molecular FormulaC9H6BrClF2N2
Molecular Weight295.51 g/mol
Exact Mass293.94
IUPAC Name2-[4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1c(CBr)cc(Cl)nc1C(F)F
InChIInChI=1S/C9H6BrClF2N2/c10-4-5-3-7(11)15-8(9(12)13)6(5)1-2-14/h3,9H,1,4H2
InChIKeyFORCNNDEXIXROB-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'}

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Related Compounds

2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075158
4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine
CID 130073150
4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130071160
5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130078886
2-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile
CID 130071857
2-[4-chloro-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 130071882
2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile
CID 130090366
6-(chloromethyl)-3-(cyanomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130079037
2-[3-bromo-5-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070239
3-(bromomethyl)-6-chloro-2-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075297
2-[2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 118999659
2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
CID 130074290

Frequently Asked Questions

What is the IUPAC name of 2-[4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile (CID 130075176) is 2-[4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile is N#CCc1c(CBr)cc(Cl)nc1C(F)F.
What is the InChIKey of 2-[4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile?
The InChIKey is FORCNNDEXIXROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClF2N2/c10-4-5-3-7(11)15-8(9(12)13)6(5)1-2-14/h3,9H,1,4H2.
What are the key properties of 2-[4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile?
2-[4-(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-[4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 130075176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).