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

C8H4Br2F2N2 — CID 130108807

IUPAC3-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)F)cc(CBr)c1Br
InChIInChI=1S/C8H4Br2F2N2/c9-2-4-1-5(8(11)12)14-6(3-13)7(4)10/h1,8H,2H2
InChIKeyMUUWWVBYYAKQDW-UHFFFAOYSA-N
MW325.94 g/mol
LogP3.55
Rot. Bonds2

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

3-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 130108807) has the molecular formula C8H4Br2F2N2 and a molecular weight of 325.94 g/mol. Its IUPAC name is 3-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID130108807
Molecular FormulaC8H4Br2F2N2
Molecular Weight325.94 g/mol
Exact Mass323.87
IUPAC Name3-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)F)cc(CBr)c1Br
InChIInChI=1S/C8H4Br2F2N2/c9-2-4-1-5(8(11)12)14-6(3-13)7(4)10/h1,8H,2H2
InChIKeyMUUWWVBYYAKQDW-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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130107774
4-bromo-3-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130108824
3-bromo-2-(bromomethyl)-6-(difluoromethyl)pyridine-4-carbonitrile
CID 130108801
methyl 2-[4-(bromomethyl)-2-cyano-6-(difluoromethyl)-3-pyridinyl]acetate
CID 133106654
3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 134669233
3-(bromomethyl)-6-(difluoromethyl)-4-formylpyridine-2-carbonitrile
CID 130078956
5-bromo-6-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130108805
2-[3-bromo-2-chloro-6-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130108171
4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130071160
3-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106766
4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine-2-carbonitrile
CID 130078657
2-[4-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130070245

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile (CID 130108807) is 3-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile is N#Cc1nc(C(F)F)cc(CBr)c1Br.
What is the InChIKey of 3-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is MUUWWVBYYAKQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2F2N2/c9-2-4-1-5(8(11)12)14-6(3-13)7(4)10/h1,8H,2H2.
What are the key properties of 3-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile?
3-bromo-4-(bromomethyl)-6-(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 3-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130108807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).