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

C8H2BrF5N2 — CID 130108881

IUPAC6-bromo-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1cc(Br)nc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H2BrF5N2/c9-4-1-3(2-15)5(7(10)11)6(16-4)8(12,13)14/h1,7H
InChIKeyZETTUONOUYDKRG-UHFFFAOYSA-N
MW301.01 g/mol
LogP3.67
Rot. Bonds1

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

6-bromo-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonitrile (PubChem CID 130108881) has the molecular formula C8H2BrF5N2 and a molecular weight of 301.01 g/mol. Its IUPAC name is 6-bromo-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-bromo-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonitrile
PubChem CID130108881
Molecular FormulaC8H2BrF5N2
Molecular Weight301.01 g/mol
Exact Mass299.93
IUPAC Name6-bromo-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1cc(Br)nc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H2BrF5N2/c9-4-1-3(2-15)5(7(10)11)6(16-4)8(12,13)14/h1,7H
InChIKeyZETTUONOUYDKRG-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-3-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyridine
CID 130069265
methyl 2-[6-bromo-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134685224
4-(cyanomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106941
6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 119017989
6-amino-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 119014969
2-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carbonitrile
CID 119014075
5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134685708
6-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130108796
6-bromo-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
CID 130108695
5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106427
3-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118850212
5-(difluoromethyl)-4-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133107002

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonitrile?
The IUPAC name of 6-bromo-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonitrile (CID 130108881) is 6-bromo-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonitrile.
What is the SMILES notation for 6-bromo-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonitrile?
The canonical SMILES for 6-bromo-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonitrile is N#Cc1cc(Br)nc(C(F)(F)F)c1C(F)F.
What is the InChIKey of 6-bromo-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonitrile?
The InChIKey is ZETTUONOUYDKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2BrF5N2/c9-4-1-3(2-15)5(7(10)11)6(16-4)8(12,13)14/h1,7H.
What are the key properties of 6-bromo-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonitrile?
6-bromo-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-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 6-bromo-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 130108881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).