4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile

C8H2BrF5N2O — CID 118828849

IUPAC4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)F)c(Br)c1OC(F)(F)F
InChIInChI=1S/C8H2BrF5N2O/c9-5-3(7(10)11)2-16-4(1-15)6(5)17-8(12,13)14/h2,7H
InChIKeyPNOCHMNJJGISPV-UHFFFAOYSA-N
MW317.01 g/mol
LogP3.55
Rot. Bonds2

About 4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile

4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 118828849) has the molecular formula C8H2BrF5N2O and a molecular weight of 317.01 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID118828849
Molecular FormulaC8H2BrF5N2O
Molecular Weight317.01 g/mol
Exact Mass315.93
IUPAC Name4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)F)c(Br)c1OC(F)(F)F
InChIInChI=1S/C8H2BrF5N2O/c9-5-3(7(10)11)2-16-4(1-15)6(5)17-8(12,13)14/h2,7H
InChIKeyPNOCHMNJJGISPV-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

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Related Compounds

4-bromo-5-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine
CID 118833826
4-bromo-3-chloro-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118811799
3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
CID 130108664
4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119019491
2-[2-bromo-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118990969
2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118804476
4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118829099
2-[4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118849917
6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119016947
5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile
CID 119010675
5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096082
4-amino-5-(cyanomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118818085

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile (CID 118828849) is 4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile is N#Cc1ncc(C(F)F)c(Br)c1OC(F)(F)F.
What is the InChIKey of 4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is PNOCHMNJJGISPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2BrF5N2O/c9-5-3(7(10)11)2-16-4(1-15)6(5)17-8(12,13)14/h2,7H.
What are the key properties of 4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile?
4-bromo-5-(difluoromethyl)-3-(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 4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 118828849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).