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

C8H2BrF5N2 — CID 119017989

IUPAC6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)c(Br)nc1C(F)F
InChIInChI=1S/C8H2BrF5N2/c9-6-4(8(12,13)14)1-3(2-15)5(16-6)7(10)11/h1,7H
InChIKeyYKWZYNZEFZOFFV-UHFFFAOYSA-N
MW301.01 g/mol
LogP3.67
Rot. Bonds1

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

6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 119017989) has the molecular formula C8H2BrF5N2 and a molecular weight of 301.01 g/mol. Its IUPAC name is 6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID119017989
Molecular FormulaC8H2BrF5N2
Molecular Weight301.01 g/mol
Exact Mass299.93
IUPAC Name6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)c(Br)nc1C(F)F
InChIInChI=1S/C8H2BrF5N2/c9-6-4(8(12,13)14)1-3(2-15)5(16-6)7(10)11/h1,7H
InChIKeyYKWZYNZEFZOFFV-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

2-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106404
6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119008379
5-cyano-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133107036
[6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130070024
2-bromo-5-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 119004230
2,3-dibromo-6-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 134683525
2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile
CID 130101068
5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106427
2,6-dibromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 118999254
2-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carbonitrile
CID 119014075
4-(difluoromethyl)-2,5-bis(trifluoromethyl)benzonitrile
CID 119011408
6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 134685020

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carbonitrile (CID 119017989) is 6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1cc(C(F)(F)F)c(Br)nc1C(F)F.
What is the InChIKey of 6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is YKWZYNZEFZOFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2BrF5N2/c9-6-4(8(12,13)14)1-3(2-15)5(16-6)7(10)11/h1,7H.
What are the key properties of 6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carbonitrile?
6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-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-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 119017989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).