[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol

C12H10F3N3O — CID 118008127

IUPAC[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol
SMILESCc1cnc(-c2cnc(C(F)(F)F)nc2)cc1CO
InChIInChI=1S/C12H10F3N3O/c1-7-3-16-10(2-8(7)6-19)9-4-17-11(18-5-9)12(13,14)15/h2-5,19H,6H2,1H3
InChIKeyQKUGHPJQPSRQRF-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.36
Rot. Bonds2

About [5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol

[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol (PubChem CID 118008127) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is [5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol
PubChem CID118008127
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol
SMILESCc1cnc(-c2cnc(C(F)(F)F)nc2)cc1CO
InChIInChI=1S/C12H10F3N3O/c1-7-3-16-10(2-8(7)6-19)9-4-17-11(18-5-9)12(13,14)15/h2-5,19H,6H2,1H3
InChIKeyQKUGHPJQPSRQRF-UHFFFAOYSA-N
XLogP2.36
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol?
The IUPAC name of [5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol (CID 118008127) is [5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol.
What is the SMILES notation for [5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol?
The canonical SMILES for [5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol is Cc1cnc(-c2cnc(C(F)(F)F)nc2)cc1CO.
What is the InChIKey of [5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol?
The InChIKey is QKUGHPJQPSRQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c1-7-3-16-10(2-8(7)6-19)9-4-17-11(18-5-9)12(13,14)15/h2-5,19H,6H2,1H3.
What are the key properties of [5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol?
[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol has a molecular weight of 269.23 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol is sourced from PubChem (CID 118008127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).