pyridin-2-yl-[2-(trifluoromethyl)quinolin-4-yl]methanol

C16H11F3N2O — CID 572603

IUPACpyridin-2-yl-[2-(trifluoromethyl)quinolin-4-yl]methanol
SMILESOC(c1ccccn1)c1cc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)14-9-11(10-5-1-2-6-12(10)21-14)15(22)13-7-3-4-8-20-13/h1-9,15,22H
InChIKeyGKPZJLYZPJNJEB-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.73
Rot. Bonds2

About pyridin-2-yl-[2-(trifluoromethyl)quinolin-4-yl]methanol

pyridin-2-yl-[2-(trifluoromethyl)quinolin-4-yl]methanol (PubChem CID 572603) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is pyridin-2-yl-[2-(trifluoromethyl)quinolin-4-yl]methanol.

Molecular Properties

Compound Namepyridin-2-yl-[2-(trifluoromethyl)quinolin-4-yl]methanol
PubChem CID572603
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Namepyridin-2-yl-[2-(trifluoromethyl)quinolin-4-yl]methanol
SMILESOC(c1ccccn1)c1cc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)14-9-11(10-5-1-2-6-12(10)21-14)15(22)13-7-3-4-8-20-13/h1-9,15,22H
InChIKeyGKPZJLYZPJNJEB-UHFFFAOYSA-N
XLogP3.73
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenanthren-9-yl(pyridin-2-yl)methanol
CID 178201671
3-[hydroxy(pyridin-2-yl)methyl]-4-(trifluoromethyl)phenol
CID 155099237
4-chloro-2-(trifluoromethyl)quinoline
CID 2736709
(7-chlorophenanthren-9-yl)-pyridin-2-ylmethanol
CID 146508713
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
(S)-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanylphenyl]-pyridin-2-ylmethanol
CID 100939425
pyrazin-2-yl(quinolin-4-yl)methanol
CID 63969428
(2,3-dichlorophenyl)-pyridin-2-ylmethanol
CID 62791139
N-iodo-2-(trifluoromethyl)quinolin-4-amine
CID 163228874
(3,5-difluorophenyl)-pyridin-2-ylmethanol
CID 62790290
4-nitro-2-(trifluoromethyl)quinoline
CID 19034696
2,2,2-trichloro-1-pyridin-2-ylethanol
CID 3066911

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[2-(trifluoromethyl)quinolin-4-yl]methanol?
The IUPAC name of pyridin-2-yl-[2-(trifluoromethyl)quinolin-4-yl]methanol (CID 572603) is pyridin-2-yl-[2-(trifluoromethyl)quinolin-4-yl]methanol.
What is the SMILES notation for pyridin-2-yl-[2-(trifluoromethyl)quinolin-4-yl]methanol?
The canonical SMILES for pyridin-2-yl-[2-(trifluoromethyl)quinolin-4-yl]methanol is OC(c1ccccn1)c1cc(C(F)(F)F)nc2ccccc12.
What is the InChIKey of pyridin-2-yl-[2-(trifluoromethyl)quinolin-4-yl]methanol?
The InChIKey is GKPZJLYZPJNJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)14-9-11(10-5-1-2-6-12(10)21-14)15(22)13-7-3-4-8-20-13/h1-9,15,22H.
What are the key properties of pyridin-2-yl-[2-(trifluoromethyl)quinolin-4-yl]methanol?
pyridin-2-yl-[2-(trifluoromethyl)quinolin-4-yl]methanol has a molecular weight of 304.27 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[2-(trifluoromethyl)quinolin-4-yl]methanol is sourced from PubChem (CID 572603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).