5-bromo-2-(difluoromethyl)-3-fluoropyridine-4-carbonitrile

C7H2BrF3N2 — CID 130108575

IUPAC5-bromo-2-(difluoromethyl)-3-fluoropyridine-4-carbonitrile
SMILESN#Cc1c(Br)cnc(C(F)F)c1F
InChIInChI=1S/C7H2BrF3N2/c8-4-2-13-6(7(10)11)5(9)3(4)1-12/h2,7H
InChIKeyHVTVNHCJNDUUCF-UHFFFAOYSA-N
MW251.00 g/mol
LogP2.79
Rot. Bonds1

About 5-bromo-2-(difluoromethyl)-3-fluoropyridine-4-carbonitrile

5-bromo-2-(difluoromethyl)-3-fluoropyridine-4-carbonitrile (PubChem CID 130108575) has the molecular formula C7H2BrF3N2 and a molecular weight of 251.00 g/mol. Its IUPAC name is 5-bromo-2-(difluoromethyl)-3-fluoropyridine-4-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-(difluoromethyl)-3-fluoropyridine-4-carbonitrile
PubChem CID130108575
Molecular FormulaC7H2BrF3N2
Molecular Weight251.00 g/mol
Exact Mass249.94
IUPAC Name5-bromo-2-(difluoromethyl)-3-fluoropyridine-4-carbonitrile
SMILESN#Cc1c(Br)cnc(C(F)F)c1F
InChIInChI=1S/C7H2BrF3N2/c8-4-2-13-6(7(10)11)5(9)3(4)1-12/h2,7H
InChIKeyHVTVNHCJNDUUCF-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

2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130098869
methyl 2-[4-cyano-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134686507
5-bromo-2-(difluoromethyl)-4-fluoropyridin-3-ol
CID 130109300
5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130108769
4-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carbonitrile
CID 130076160
3-(bromomethyl)-2-(difluoromethyl)-5-fluoropyridine-4-carbonitrile
CID 130076091
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile
CID 130075915
4-bromo-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 118832955
5-bromo-3-(difluoromethyl)-2-formylpyridine-4-carbonitrile
CID 130108998
4-bromo-5-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 130109044
5-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride
CID 130076358
2-[5-cyano-2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetic acid
CID 130076328

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(difluoromethyl)-3-fluoropyridine-4-carbonitrile?
The IUPAC name of 5-bromo-2-(difluoromethyl)-3-fluoropyridine-4-carbonitrile (CID 130108575) is 5-bromo-2-(difluoromethyl)-3-fluoropyridine-4-carbonitrile.
What is the SMILES notation for 5-bromo-2-(difluoromethyl)-3-fluoropyridine-4-carbonitrile?
The canonical SMILES for 5-bromo-2-(difluoromethyl)-3-fluoropyridine-4-carbonitrile is N#Cc1c(Br)cnc(C(F)F)c1F.
What is the InChIKey of 5-bromo-2-(difluoromethyl)-3-fluoropyridine-4-carbonitrile?
The InChIKey is HVTVNHCJNDUUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF3N2/c8-4-2-13-6(7(10)11)5(9)3(4)1-12/h2,7H.
What are the key properties of 5-bromo-2-(difluoromethyl)-3-fluoropyridine-4-carbonitrile?
5-bromo-2-(difluoromethyl)-3-fluoropyridine-4-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 5-bromo-2-(difluoromethyl)-3-fluoropyridine-4-carbonitrile is sourced from PubChem (CID 130108575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).