4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile

C8H4Br2F2N2 — CID 130108825

IUPAC4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(C(F)F)c(CBr)c1Br
InChIInChI=1S/C8H4Br2F2N2/c9-1-5-6(10)4(2-13)3-14-7(5)8(11)12/h3,8H,1H2
InChIKeyILAWLLRLTTZITG-UHFFFAOYSA-N
MW325.94 g/mol
LogP3.55
Rot. Bonds2

About 4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile

4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile (PubChem CID 130108825) has the molecular formula C8H4Br2F2N2 and a molecular weight of 325.94 g/mol. Its IUPAC name is 4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
PubChem CID130108825
Molecular FormulaC8H4Br2F2N2
Molecular Weight325.94 g/mol
Exact Mass323.87
IUPAC Name4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(C(F)F)c(CBr)c1Br
InChIInChI=1S/C8H4Br2F2N2/c9-1-5-6(10)4(2-13)3-14-7(5)8(11)12/h3,8H,1H2
InChIKeyILAWLLRLTTZITG-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

5-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 133107081
3-(bromomethyl)-2-(difluoromethyl)-5-fluoropyridine-4-carbonitrile
CID 130076091
5-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbonitrile
CID 130108642
2-[5-(bromomethyl)-6-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
CID 130081776
4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbonitrile
CID 118822990
5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 130076050
6-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130108796
ethyl 2-[3-bromo-5-cyano-2-(difluoromethyl)-4-pyridinyl]acetate
CID 171029566
5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridine-3-carbonitrile
CID 130078238
5-(bromomethyl)-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
CID 130078912
5-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol
CID 130110208
5-(cyanomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 165344407

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile (CID 130108825) is 4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile is N#Cc1cnc(C(F)F)c(CBr)c1Br.
What is the InChIKey of 4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile?
The InChIKey is ILAWLLRLTTZITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2F2N2/c9-1-5-6(10)4(2-13)3-14-7(5)8(11)12/h3,8H,1H2.
What are the key properties of 4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile?
4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-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 4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 130108825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).