(2-hydroxyphenyl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone

C12H7F3N2O2 — CID 101492769

IUPAC(2-hydroxyphenyl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone
SMILESO=C(c1ccccc1O)c1cncnc1C(F)(F)F
InChIInChI=1S/C12H7F3N2O2/c13-12(14,15)11-8(5-16-6-17-11)10(19)7-3-1-2-4-9(7)18/h1-6,18H
InChIKeyLSGYCCPPWKMLBU-UHFFFAOYSA-N
MW268.19 g/mol
LogP2.43
Rot. Bonds2

About (2-hydroxyphenyl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone

(2-hydroxyphenyl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone (PubChem CID 101492769) has the molecular formula C12H7F3N2O2 and a molecular weight of 268.19 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone
PubChem CID101492769
Molecular FormulaC12H7F3N2O2
Molecular Weight268.19 g/mol
Exact Mass268.05
IUPAC Name(2-hydroxyphenyl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone
SMILESO=C(c1ccccc1O)c1cncnc1C(F)(F)F
InChIInChI=1S/C12H7F3N2O2/c13-12(14,15)11-8(5-16-6-17-11)10(19)7-3-1-2-4-9(7)18/h1-6,18H
InChIKeyLSGYCCPPWKMLBU-UHFFFAOYSA-N
XLogP2.43
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone (CID 101492769) is (2-hydroxyphenyl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone is O=C(c1ccccc1O)c1cncnc1C(F)(F)F.
What is the InChIKey of (2-hydroxyphenyl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone?
The InChIKey is LSGYCCPPWKMLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O2/c13-12(14,15)11-8(5-16-6-17-11)10(19)7-3-1-2-4-9(7)18/h1-6,18H.
What are the key properties of (2-hydroxyphenyl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone?
(2-hydroxyphenyl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone has a molecular weight of 268.19 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanone is sourced from PubChem (CID 101492769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).