6-(trifluoromethyl)-2-(3,3,3-trifluoropropoxy)pyridine-3-carbonitrile

C10H6F6N2O — CID 82955844

IUPAC6-(trifluoromethyl)-2-(3,3,3-trifluoropropoxy)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1OCCC(F)(F)F
InChIInChI=1S/C10H6F6N2O/c11-9(12,13)3-4-19-8-6(5-17)1-2-7(18-8)10(14,15)16/h1-2H,3-4H2
InChIKeyZQBWKAPVVCPCDM-UHFFFAOYSA-N
MW284.16 g/mol
LogP3.30
Rot. Bonds3

About 6-(trifluoromethyl)-2-(3,3,3-trifluoropropoxy)pyridine-3-carbonitrile

6-(trifluoromethyl)-2-(3,3,3-trifluoropropoxy)pyridine-3-carbonitrile (PubChem CID 82955844) has the molecular formula C10H6F6N2O and a molecular weight of 284.16 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2-(3,3,3-trifluoropropoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(trifluoromethyl)-2-(3,3,3-trifluoropropoxy)pyridine-3-carbonitrile
PubChem CID82955844
Molecular FormulaC10H6F6N2O
Molecular Weight284.16 g/mol
Exact Mass284.04
IUPAC Name6-(trifluoromethyl)-2-(3,3,3-trifluoropropoxy)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1OCCC(F)(F)F
InChIInChI=1S/C10H6F6N2O/c11-9(12,13)3-4-19-8-6(5-17)1-2-7(18-8)10(14,15)16/h1-2H,3-4H2
InChIKeyZQBWKAPVVCPCDM-UHFFFAOYSA-N
XLogP3.30
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-pent-4-enoxy-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877373
2-(cyclopropylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873515
2-[2-(3-methoxypropoxy)ethoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 103177581
2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873398
2-[(4-bromophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 82807332
2-[(1-aminocyclopentyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877225
2-(pyridin-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873370
2-(furan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869558
2-(oxolan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869488
2-(oxan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869424
2-(2-ethylhexoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79876034
2-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile
CID 54400483

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2-(3,3,3-trifluoropropoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-(trifluoromethyl)-2-(3,3,3-trifluoropropoxy)pyridine-3-carbonitrile (CID 82955844) is 6-(trifluoromethyl)-2-(3,3,3-trifluoropropoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(trifluoromethyl)-2-(3,3,3-trifluoropropoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-(trifluoromethyl)-2-(3,3,3-trifluoropropoxy)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1OCCC(F)(F)F.
What is the InChIKey of 6-(trifluoromethyl)-2-(3,3,3-trifluoropropoxy)pyridine-3-carbonitrile?
The InChIKey is ZQBWKAPVVCPCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6N2O/c11-9(12,13)3-4-19-8-6(5-17)1-2-7(18-8)10(14,15)16/h1-2H,3-4H2.
What are the key properties of 6-(trifluoromethyl)-2-(3,3,3-trifluoropropoxy)pyridine-3-carbonitrile?
6-(trifluoromethyl)-2-(3,3,3-trifluoropropoxy)pyridine-3-carbonitrile has a molecular weight of 284.16 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2-(3,3,3-trifluoropropoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 82955844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).