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

C7H2BrF3N2 — CID 130748897

IUPAC6-bromo-4-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)cc(Br)n1
InChIInChI=1S/C7H2BrF3N2/c8-6-2-4(7(9,10)11)1-5(3-12)13-6/h1-2H
InChIKeyWKUVXENUJDVDHS-UHFFFAOYSA-N
MW251.00 g/mol
LogP2.73
Rot. Bonds

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

6-bromo-4-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 130748897) has the molecular formula C7H2BrF3N2 and a molecular weight of 251.00 g/mol. Its IUPAC name is 6-bromo-4-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-bromo-4-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID130748897
Molecular FormulaC7H2BrF3N2
Molecular Weight251.00 g/mol
Exact Mass249.94
IUPAC Name6-bromo-4-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)cc(Br)n1
InChIInChI=1S/C7H2BrF3N2/c8-6-2-4(7(9,10)11)1-5(3-12)13-6/h1-2H
InChIKeyWKUVXENUJDVDHS-UHFFFAOYSA-N
XLogP2.73
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.00
LogP ≤ 52.73
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-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 57468704
2-bromo-6-tert-butyl-4-(trifluoromethyl)pyridine
CID 149066453
2-bromo-6-methoxy-4-(trifluoromethyl)pyridine
CID 129248998
6-bromo-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine
CID 150570781
2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
CID 57468624
7-(trifluoromethyl)quinoline-2-carbonitrile
CID 75355798
6-[(4-methoxyphenyl)methylamino]-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 174777830
5-bromo-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 130748898
4-amino-6-(trifluoromethyl)quinoline-2-carbonitrile
CID 152757537
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
CID 67446980
4-fluoropyridine-2,6-dicarbonitrile
CID 175672759
6-bromo-4-fluoro-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118997727

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 6-bromo-4-(trifluoromethyl)pyridine-2-carbonitrile (CID 130748897) is 6-bromo-4-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-bromo-4-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-bromo-4-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1cc(C(F)(F)F)cc(Br)n1.
What is the InChIKey of 6-bromo-4-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is WKUVXENUJDVDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF3N2/c8-6-2-4(7(9,10)11)1-5(3-12)13-6/h1-2H.
What are the key properties of 6-bromo-4-(trifluoromethyl)pyridine-2-carbonitrile?
6-bromo-4-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 251.00 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130748897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).