[8-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol

C17H13F3N2O — CID 572605

IUPAC[8-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol
SMILESCc1cccc2c(C(O)c3ccccn3)cc(C(F)(F)F)nc12
InChIInChI=1S/C17H13F3N2O/c1-10-5-4-6-11-12(16(23)13-7-2-3-8-21-13)9-14(17(18,19)20)22-15(10)11/h2-9,16,23H,1H3
InChIKeyFURWCBDMWIBNDK-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.04
Rot. Bonds2

About [8-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol

[8-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol (PubChem CID 572605) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is [8-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[8-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol
PubChem CID572605
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name[8-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol
SMILESCc1cccc2c(C(O)c3ccccn3)cc(C(F)(F)F)nc12
InChIInChI=1S/C17H13F3N2O/c1-10-5-4-6-11-12(16(23)13-7-2-3-8-21-13)9-14(17(18,19)20)22-15(10)11/h2-9,16,23H,1H3
InChIKeyFURWCBDMWIBNDK-UHFFFAOYSA-N
XLogP4.04
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [8-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol?
The IUPAC name of [8-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol (CID 572605) is [8-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for [8-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol?
The canonical SMILES for [8-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol is Cc1cccc2c(C(O)c3ccccn3)cc(C(F)(F)F)nc12.
What is the InChIKey of [8-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol?
The InChIKey is FURWCBDMWIBNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c1-10-5-4-6-11-12(16(23)13-7-2-3-8-21-13)9-14(17(18,19)20)22-15(10)11/h2-9,16,23H,1H3.
What are the key properties of [8-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol?
[8-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol has a molecular weight of 318.30 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 572605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).