4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile

C8H4BrClF2N2 — CID 130071160

IUPAC4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(Cl)cc(CBr)c1C(F)F
InChIInChI=1S/C8H4BrClF2N2/c9-2-4-1-6(10)14-5(3-13)7(4)8(11)12/h1,8H,2H2
InChIKeyVVCQAMQCWARCFG-UHFFFAOYSA-N
MW281.49 g/mol
LogP3.44
Rot. Bonds2

About 4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile

4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 130071160) has the molecular formula C8H4BrClF2N2 and a molecular weight of 281.49 g/mol. Its IUPAC name is 4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID130071160
Molecular FormulaC8H4BrClF2N2
Molecular Weight281.49 g/mol
Exact Mass279.92
IUPAC Name4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(Cl)cc(CBr)c1C(F)F
InChIInChI=1S/C8H4BrClF2N2/c9-2-4-1-6(10)14-5(3-13)7(4)8(11)12/h1,8H,2H2
InChIKeyVVCQAMQCWARCFG-UHFFFAOYSA-N
XLogP3.44
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 53.44
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-[4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075176
6-bromo-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130108794
6-amino-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 119015380
3-(difluoromethyl)-4-(hydroxymethyl)-6-iodopyridine-2-carbonitrile
CID 119003364
4-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 118845275
ethyl 6-chloro-2-cyano-3-(difluoromethyl)pyridine-4-carboxylate
CID 134662523
6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 130070893
4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine
CID 130073150
4-(bromomethyl)-2-chloro-3-(difluoromethyl)-6-fluoropyridine
CID 130071761
2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075158
3-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130108807
3-amino-6-chloro-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130102428

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile (CID 130071160) is 4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile is N#Cc1nc(Cl)cc(CBr)c1C(F)F.
What is the InChIKey of 4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is VVCQAMQCWARCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF2N2/c9-2-4-1-6(10)14-5(3-13)7(4)8(11)12/h1,8H,2H2.
What are the key properties of 4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile?
4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile has a molecular weight of 281.49 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130071160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).