6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile

C8H2BrF5N2O — CID 119016947

IUPAC6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)F)c(OC(F)(F)F)c(Br)n1
InChIInChI=1S/C8H2BrF5N2O/c9-6-5(17-8(12,13)14)4(7(10)11)1-3(2-15)16-6/h1,7H
InChIKeyQVXXDFLTSURVPL-UHFFFAOYSA-N
MW317.01 g/mol
LogP3.55
Rot. Bonds2

About 6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile

6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 119016947) has the molecular formula C8H2BrF5N2O and a molecular weight of 317.01 g/mol. Its IUPAC name is 6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID119016947
Molecular FormulaC8H2BrF5N2O
Molecular Weight317.01 g/mol
Exact Mass315.93
IUPAC Name6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)F)c(OC(F)(F)F)c(Br)n1
InChIInChI=1S/C8H2BrF5N2O/c9-6-5(17-8(12,13)14)4(7(10)11)1-3(2-15)16-6/h1,7H
InChIKeyQVXXDFLTSURVPL-UHFFFAOYSA-N
XLogP3.55
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.01
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118826916
6-bromo-4-fluoro-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118997727
6-bromo-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119013383
6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 119019596
4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119019491
4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118828849
6-(aminomethyl)-4-bromo-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118814478
methyl 2-[2-bromo-6-cyano-4-(difluoromethyl)-3-pyridinyl]acetate
CID 171029556
2-[2-bromo-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118990969
methyl 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 134671057
5-bromo-6-fluoro-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131279482
5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131279576

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile (CID 119016947) is 6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile is N#Cc1cc(C(F)F)c(OC(F)(F)F)c(Br)n1.
What is the InChIKey of 6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is QVXXDFLTSURVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2BrF5N2O/c9-6-5(17-8(12,13)14)4(7(10)11)1-3(2-15)16-6/h1,7H.
What are the key properties of 6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile?
6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile has a molecular weight of 317.01 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 119016947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).