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

C8H4Br2F2N2 — CID 130108805

IUPAC5-bromo-6-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(CBr)c(Br)cc1C(F)F
InChIInChI=1S/C8H4Br2F2N2/c9-2-6-5(10)1-4(8(11)12)7(3-13)14-6/h1,8H,2H2
InChIKeyBJCDGXDPOFVXON-UHFFFAOYSA-N
MW325.94 g/mol
LogP3.55
Rot. Bonds2

About 5-bromo-6-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile

5-bromo-6-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 130108805) has the molecular formula C8H4Br2F2N2 and a molecular weight of 325.94 g/mol. Its IUPAC name is 5-bromo-6-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-bromo-6-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID130108805
Molecular FormulaC8H4Br2F2N2
Molecular Weight325.94 g/mol
Exact Mass323.87
IUPAC Name5-bromo-6-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(CBr)c(Br)cc1C(F)F
InChIInChI=1S/C8H4Br2F2N2/c9-2-6-5(10)1-4(8(11)12)7(3-13)14-6/h1,8H,2H2
InChIKeyBJCDGXDPOFVXON-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

6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118843869
5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130098862
5-(bromomethyl)-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130078932
methyl 2-[3-bromo-6-cyano-5-(difluoromethyl)-2-pyridinyl]acetate
CID 171029560
3-bromo-2-(bromomethyl)-5-(difluoromethyl)-6-fluoropyridine
CID 130109497
6-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118848258
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 118821181
6-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118849411
2-[2-bromo-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 119019827
4-bromo-3-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130108824
3-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130108807
3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
CID 130108665

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 5-bromo-6-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile (CID 130108805) is 5-bromo-6-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-bromo-6-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-bromo-6-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile is N#Cc1nc(CBr)c(Br)cc1C(F)F.
What is the InChIKey of 5-bromo-6-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is BJCDGXDPOFVXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2F2N2/c9-2-6-5(10)1-4(8(11)12)7(3-13)14-6/h1,8H,2H2.
What are the key properties of 5-bromo-6-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile?
5-bromo-6-(bromomethyl)-3-(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 5-bromo-6-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130108805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).