2-[[cyclobutyl(3,3,3-trifluoropropyl)amino]methyl]-6-methylpyridin-3-ol

C14H19F3N2O — CID 84594006

IUPAC2-[[cyclobutyl(3,3,3-trifluoropropyl)amino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN(CCC(F)(F)F)C2CCC2)n1
InChIInChI=1S/C14H19F3N2O/c1-10-5-6-13(20)12(18-10)9-19(11-3-2-4-11)8-7-14(15,16)17/h5-6,11,20H,2-4,7-9H2,1H3
InChIKeyPNZIYFZJVCINTD-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.40
Rot. Bonds5

About 2-[[cyclobutyl(3,3,3-trifluoropropyl)amino]methyl]-6-methylpyridin-3-ol

2-[[cyclobutyl(3,3,3-trifluoropropyl)amino]methyl]-6-methylpyridin-3-ol (PubChem CID 84594006) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[[cyclobutyl(3,3,3-trifluoropropyl)amino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[cyclobutyl(3,3,3-trifluoropropyl)amino]methyl]-6-methylpyridin-3-ol
PubChem CID84594006
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-[[cyclobutyl(3,3,3-trifluoropropyl)amino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN(CCC(F)(F)F)C2CCC2)n1
InChIInChI=1S/C14H19F3N2O/c1-10-5-6-13(20)12(18-10)9-19(11-3-2-4-11)8-7-14(15,16)17/h5-6,11,20H,2-4,7-9H2,1H3
InChIKeyPNZIYFZJVCINTD-UHFFFAOYSA-N
XLogP3.40
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclobutyl(3,3,3-trifluoropropyl)amino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[cyclobutyl(3,3,3-trifluoropropyl)amino]methyl]-6-methylpyridin-3-ol (CID 84594006) is 2-[[cyclobutyl(3,3,3-trifluoropropyl)amino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[cyclobutyl(3,3,3-trifluoropropyl)amino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[cyclobutyl(3,3,3-trifluoropropyl)amino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CN(CCC(F)(F)F)C2CCC2)n1.
What is the InChIKey of 2-[[cyclobutyl(3,3,3-trifluoropropyl)amino]methyl]-6-methylpyridin-3-ol?
The InChIKey is PNZIYFZJVCINTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-10-5-6-13(20)12(18-10)9-19(11-3-2-4-11)8-7-14(15,16)17/h5-6,11,20H,2-4,7-9H2,1H3.
What are the key properties of 2-[[cyclobutyl(3,3,3-trifluoropropyl)amino]methyl]-6-methylpyridin-3-ol?
2-[[cyclobutyl(3,3,3-trifluoropropyl)amino]methyl]-6-methylpyridin-3-ol has a molecular weight of 288.31 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclobutyl(3,3,3-trifluoropropyl)amino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 84594006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).