6-bromo-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile

C8H4Br2F2N2 — CID 130108794

IUPAC6-bromo-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(CBr)c(C(F)F)c(Br)n1
InChIInChI=1S/C8H4Br2F2N2/c9-2-4-1-5(3-13)14-7(10)6(4)8(11)12/h1,8H,2H2
InChIKeyYVJRHNLSYVCZFB-UHFFFAOYSA-N
MW325.94 g/mol
LogP3.55
Rot. Bonds2

About 6-bromo-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile

6-bromo-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 130108794) has the molecular formula C8H4Br2F2N2 and a molecular weight of 325.94 g/mol. Its IUPAC name is 6-bromo-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-bromo-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID130108794
Molecular FormulaC8H4Br2F2N2
Molecular Weight325.94 g/mol
Exact Mass323.87
IUPAC Name6-bromo-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(CBr)c(C(F)F)c(Br)n1
InChIInChI=1S/C8H4Br2F2N2/c9-2-4-1-5(3-13)14-7(10)6(4)8(11)12/h1,8H,2H2
InChIKeyYVJRHNLSYVCZFB-UHFFFAOYSA-N
XLogP3.55
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.94
LogP ≤ 53.55
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

6-amino-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 119015380
2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine
CID 119005806
6-bromo-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119013383
4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130071160
5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130078886
4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile
CID 118824155
4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carbonitrile
CID 130078289
4-(cyanomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106941
3-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130108807
methyl 2-[2-bromo-6-cyano-4-(difluoromethyl)-3-pyridinyl]acetate
CID 171029556
2-[2-(chloromethyl)-6-cyano-3-(difluoromethyl)-4-pyridinyl]acetic acid
CID 118804263
2-[6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130070222

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 6-bromo-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile (CID 130108794) is 6-bromo-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-bromo-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-bromo-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile is N#Cc1cc(CBr)c(C(F)F)c(Br)n1.
What is the InChIKey of 6-bromo-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is YVJRHNLSYVCZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2F2N2/c9-2-4-1-5(3-13)14-7(10)6(4)8(11)12/h1,8H,2H2.
What are the key properties of 6-bromo-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile?
6-bromo-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile has a molecular weight of 325.94 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130108794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).