2-(cyclopropylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile

C11H9F3N2O — CID 58873515

IUPAC2-(cyclopropylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1OCC1CC1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)9-4-3-8(5-15)10(16-9)17-6-7-1-2-7/h3-4,7H,1-2,6H2
InChIKeyYRKHMEHXKDHDCM-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.76
Rot. Bonds3

About 2-(cyclopropylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(cyclopropylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 58873515) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID58873515
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name2-(cyclopropylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1OCC1CC1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)9-4-3-8(5-15)10(16-9)17-6-7-1-2-7/h3-4,7H,1-2,6H2
InChIKeyYRKHMEHXKDHDCM-UHFFFAOYSA-N
XLogP2.76
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(cyclopropylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 58873515) is 2-(cyclopropylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(cyclopropylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(cyclopropylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is YRKHMEHXKDHDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c12-11(13,14)9-4-3-8(5-15)10(16-9)17-6-7-1-2-7/h3-4,7H,1-2,6H2.
What are the key properties of 2-(cyclopropylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(cyclopropylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 242.20 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 58873515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).