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

C8H2BrF5N2 — CID 130108890

IUPAC3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)(F)F)cc(C(F)F)c1Br
InChIInChI=1S/C8H2BrF5N2/c9-6-3(7(10)11)1-5(8(12,13)14)16-4(6)2-15/h1,7H
InChIKeyVBDTZZHLXIHGSM-UHFFFAOYSA-N
MW301.01 g/mol
LogP3.67
Rot. Bonds1

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

3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 130108890) has the molecular formula C8H2BrF5N2 and a molecular weight of 301.01 g/mol. Its IUPAC name is 3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID130108890
Molecular FormulaC8H2BrF5N2
Molecular Weight301.01 g/mol
Exact Mass299.93
IUPAC Name3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)(F)F)cc(C(F)F)c1Br
InChIInChI=1S/C8H2BrF5N2/c9-6-3(7(10)11)1-5(8(12,13)14)16-4(6)2-15/h1,7H
InChIKeyVBDTZZHLXIHGSM-UHFFFAOYSA-N
XLogP3.67
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.01
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130070871
2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 130071216
2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-ol
CID 119004848
2-bromo-3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 118995680
3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 119011943
4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134682035
5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130098862
5-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 134675768
3-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 119020295
3-(difluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 118704023
4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 134668564
3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130107774

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile (CID 130108890) is 3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1nc(C(F)(F)F)cc(C(F)F)c1Br.
What is the InChIKey of 3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is VBDTZZHLXIHGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2BrF5N2/c9-6-3(7(10)11)1-5(8(12,13)14)16-4(6)2-15/h1,7H.
What are the key properties of 3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile?
3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 301.01 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130108890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).