3-bromo-6-(difluoromethyl)-5-fluoropyridine-2-carbonitrile

C7H2BrF3N2 — CID 130108569

IUPAC3-bromo-6-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)F)c(F)cc1Br
InChIInChI=1S/C7H2BrF3N2/c8-3-1-4(9)6(7(10)11)13-5(3)2-12/h1,7H
InChIKeyASIJUSMMIZURLW-UHFFFAOYSA-N
MW251.00 g/mol
LogP2.79
Rot. Bonds1

About 3-bromo-6-(difluoromethyl)-5-fluoropyridine-2-carbonitrile

3-bromo-6-(difluoromethyl)-5-fluoropyridine-2-carbonitrile (PubChem CID 130108569) has the molecular formula C7H2BrF3N2 and a molecular weight of 251.00 g/mol. Its IUPAC name is 3-bromo-6-(difluoromethyl)-5-fluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name3-bromo-6-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
PubChem CID130108569
Molecular FormulaC7H2BrF3N2
Molecular Weight251.00 g/mol
Exact Mass249.94
IUPAC Name3-bromo-6-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)F)c(F)cc1Br
InChIInChI=1S/C7H2BrF3N2/c8-3-1-4(9)6(7(10)11)13-5(3)2-12/h1,7H
InChIKeyASIJUSMMIZURLW-UHFFFAOYSA-N
XLogP2.79
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.00
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(difluoromethyl)-3,5-difluoropyridine-2-carbonitrile
CID 119013699
3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 130108635
3-bromo-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile
CID 130108994
5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130109029
6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 134685020
5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130098862
5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carbonyl chloride
CID 134667505
3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
CID 130108665
4-bromo-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 118832955
ethyl 2-[2-cyano-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134686578
6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118843869
5-bromo-6-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130108805

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(difluoromethyl)-5-fluoropyridine-2-carbonitrile?
The IUPAC name of 3-bromo-6-(difluoromethyl)-5-fluoropyridine-2-carbonitrile (CID 130108569) is 3-bromo-6-(difluoromethyl)-5-fluoropyridine-2-carbonitrile.
What is the SMILES notation for 3-bromo-6-(difluoromethyl)-5-fluoropyridine-2-carbonitrile?
The canonical SMILES for 3-bromo-6-(difluoromethyl)-5-fluoropyridine-2-carbonitrile is N#Cc1nc(C(F)F)c(F)cc1Br.
What is the InChIKey of 3-bromo-6-(difluoromethyl)-5-fluoropyridine-2-carbonitrile?
The InChIKey is ASIJUSMMIZURLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF3N2/c8-3-1-4(9)6(7(10)11)13-5(3)2-12/h1,7H.
What are the key properties of 3-bromo-6-(difluoromethyl)-5-fluoropyridine-2-carbonitrile?
3-bromo-6-(difluoromethyl)-5-fluoropyridine-2-carbonitrile has a molecular weight of 251.00 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(difluoromethyl)-5-fluoropyridine-2-carbonitrile is sourced from PubChem (CID 130108569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).