1-[3-pyridin-2-yl-1-(trifluoromethyl)indolizin-2-yl]ethanol

C16H13F3N2O — CID 118573273

IUPAC1-[3-pyridin-2-yl-1-(trifluoromethyl)indolizin-2-yl]ethanol
SMILESCC(O)c1c(C(F)(F)F)c2ccccn2c1-c1ccccn1
InChIInChI=1S/C16H13F3N2O/c1-10(22)13-14(16(17,18)19)12-7-3-5-9-21(12)15(13)11-6-2-4-8-20-11/h2-10,22H,1H3
InChIKeyMDPHOSWSTJLFGF-UHFFFAOYSA-N
MW306.29 g/mol
LogP4.07
Rot. Bonds2

About 1-[3-pyridin-2-yl-1-(trifluoromethyl)indolizin-2-yl]ethanol

1-[3-pyridin-2-yl-1-(trifluoromethyl)indolizin-2-yl]ethanol (PubChem CID 118573273) has the molecular formula C16H13F3N2O and a molecular weight of 306.29 g/mol. Its IUPAC name is 1-[3-pyridin-2-yl-1-(trifluoromethyl)indolizin-2-yl]ethanol.

Molecular Properties

Compound Name1-[3-pyridin-2-yl-1-(trifluoromethyl)indolizin-2-yl]ethanol
PubChem CID118573273
Molecular FormulaC16H13F3N2O
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name1-[3-pyridin-2-yl-1-(trifluoromethyl)indolizin-2-yl]ethanol
SMILESCC(O)c1c(C(F)(F)F)c2ccccn2c1-c1ccccn1
InChIInChI=1S/C16H13F3N2O/c1-10(22)13-14(16(17,18)19)12-7-3-5-9-21(12)15(13)11-6-2-4-8-20-11/h2-10,22H,1H3
InChIKeyMDPHOSWSTJLFGF-UHFFFAOYSA-N
XLogP4.07
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-pyridin-2-yl-1-(trifluoromethyl)indolizin-2-yl]ethanol?
The IUPAC name of 1-[3-pyridin-2-yl-1-(trifluoromethyl)indolizin-2-yl]ethanol (CID 118573273) is 1-[3-pyridin-2-yl-1-(trifluoromethyl)indolizin-2-yl]ethanol.
What is the SMILES notation for 1-[3-pyridin-2-yl-1-(trifluoromethyl)indolizin-2-yl]ethanol?
The canonical SMILES for 1-[3-pyridin-2-yl-1-(trifluoromethyl)indolizin-2-yl]ethanol is CC(O)c1c(C(F)(F)F)c2ccccn2c1-c1ccccn1.
What is the InChIKey of 1-[3-pyridin-2-yl-1-(trifluoromethyl)indolizin-2-yl]ethanol?
The InChIKey is MDPHOSWSTJLFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O/c1-10(22)13-14(16(17,18)19)12-7-3-5-9-21(12)15(13)11-6-2-4-8-20-11/h2-10,22H,1H3.
What are the key properties of 1-[3-pyridin-2-yl-1-(trifluoromethyl)indolizin-2-yl]ethanol?
1-[3-pyridin-2-yl-1-(trifluoromethyl)indolizin-2-yl]ethanol has a molecular weight of 306.29 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-pyridin-2-yl-1-(trifluoromethyl)indolizin-2-yl]ethanol is sourced from PubChem (CID 118573273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).