pyrimidin-5-yl-[3-(trifluoromethyl)phenyl]methanol

C12H9F3N2O — CID 62491180

IUPACpyrimidin-5-yl-[3-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cncnc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)10-3-1-2-8(4-10)11(18)9-5-16-7-17-6-9/h1-7,11,18H
InChIKeyWDDCBQTVPSGRDG-UHFFFAOYSA-N
MW254.21 g/mol
LogP2.58
Rot. Bonds2

About pyrimidin-5-yl-[3-(trifluoromethyl)phenyl]methanol

pyrimidin-5-yl-[3-(trifluoromethyl)phenyl]methanol (PubChem CID 62491180) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is pyrimidin-5-yl-[3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Namepyrimidin-5-yl-[3-(trifluoromethyl)phenyl]methanol
PubChem CID62491180
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Namepyrimidin-5-yl-[3-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cncnc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)10-3-1-2-8(4-10)11(18)9-5-16-7-17-6-9/h1-7,11,18H
InChIKeyWDDCBQTVPSGRDG-UHFFFAOYSA-N
XLogP2.58
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyridin-4-yl-[3-(trifluoromethyl)phenyl]methanol
CID 11425288
[3-fluoro-5-(trifluoromethyl)phenyl]-pyrimidin-5-ylmethanol
CID 115351139
(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 107978303
(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 60799413
thiophen-3-yl-[3-(trifluoromethyl)phenyl]methanol
CID 62789605
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
(3-bromo-4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 115792429
(R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 28502674
2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 162511327
3-amino-1-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190750
3-methyl-1-[3-(trifluoromethyl)phenyl]but-2-en-1-ol
CID 59652784
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 114635032

Frequently Asked Questions

What is the IUPAC name of pyrimidin-5-yl-[3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of pyrimidin-5-yl-[3-(trifluoromethyl)phenyl]methanol (CID 62491180) is pyrimidin-5-yl-[3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for pyrimidin-5-yl-[3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for pyrimidin-5-yl-[3-(trifluoromethyl)phenyl]methanol is OC(c1cncnc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of pyrimidin-5-yl-[3-(trifluoromethyl)phenyl]methanol?
The InChIKey is WDDCBQTVPSGRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c13-12(14,15)10-3-1-2-8(4-10)11(18)9-5-16-7-17-6-9/h1-7,11,18H.
What are the key properties of pyrimidin-5-yl-[3-(trifluoromethyl)phenyl]methanol?
pyrimidin-5-yl-[3-(trifluoromethyl)phenyl]methanol has a molecular weight of 254.21 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-5-yl-[3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 62491180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).