4-propoxy-2-(trifluoromethyl)pyridine-3-carbonitrile

C10H9F3N2O — CID 91130364

IUPAC4-propoxy-2-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCCOc1ccnc(C(F)(F)F)c1C#N
InChIInChI=1S/C10H9F3N2O/c1-2-5-16-8-3-4-15-9(7(8)6-14)10(11,12)13/h3-4H,2,5H2,1H3
InChIKeyPBVWSCIBRGHXHT-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.76
Rot. Bonds3

About 4-propoxy-2-(trifluoromethyl)pyridine-3-carbonitrile

4-propoxy-2-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 91130364) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 4-propoxy-2-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-propoxy-2-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID91130364
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name4-propoxy-2-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCCOc1ccnc(C(F)(F)F)c1C#N
InChIInChI=1S/C10H9F3N2O/c1-2-5-16-8-3-4-15-9(7(8)6-14)10(11,12)13/h3-4H,2,5H2,1H3
InChIKeyPBVWSCIBRGHXHT-UHFFFAOYSA-N
XLogP2.76
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propoxy-2-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 4-propoxy-2-(trifluoromethyl)pyridine-3-carbonitrile (CID 91130364) is 4-propoxy-2-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-propoxy-2-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-propoxy-2-(trifluoromethyl)pyridine-3-carbonitrile is CCCOc1ccnc(C(F)(F)F)c1C#N.
What is the InChIKey of 4-propoxy-2-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is PBVWSCIBRGHXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-2-5-16-8-3-4-15-9(7(8)6-14)10(11,12)13/h3-4H,2,5H2,1H3.
What are the key properties of 4-propoxy-2-(trifluoromethyl)pyridine-3-carbonitrile?
4-propoxy-2-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 230.19 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 4-propoxy-2-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 91130364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).