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

C17H13F3N2O — CID 572604

IUPAC[6-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol
SMILESCc1ccc2nc(C(F)(F)F)cc(C(O)c3ccccn3)c2c1
InChIInChI=1S/C17H13F3N2O/c1-10-5-6-13-11(8-10)12(9-15(22-13)17(18,19)20)16(23)14-4-2-3-7-21-14/h2-9,16,23H,1H3
InChIKeyIPLJHTACPBBCRA-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.04
Rot. Bonds2

About [6-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol

[6-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol (PubChem CID 572604) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is [6-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[6-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol
PubChem CID572604
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name[6-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol
SMILESCc1ccc2nc(C(F)(F)F)cc(C(O)c3ccccn3)c2c1
InChIInChI=1S/C17H13F3N2O/c1-10-5-6-13-11(8-10)12(9-15(22-13)17(18,19)20)16(23)14-4-2-3-7-21-14/h2-9,16,23H,1H3
InChIKeyIPLJHTACPBBCRA-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 [6-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol?
The IUPAC name of [6-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol (CID 572604) is [6-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for [6-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol?
The canonical SMILES for [6-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol is Cc1ccc2nc(C(F)(F)F)cc(C(O)c3ccccn3)c2c1.
What is the InChIKey of [6-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol?
The InChIKey is IPLJHTACPBBCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c1-10-5-6-13-11(8-10)12(9-15(22-13)17(18,19)20)16(23)14-4-2-3-7-21-14/h2-9,16,23H,1H3.
What are the key properties of [6-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol?
[6-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 [6-methyl-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 572604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).