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

C11H8F3N3O — CID 114205003

IUPAC[2-pyridin-4-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(-c2ccncc2)nc1C(F)(F)F
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)9-8(6-18)5-16-10(17-9)7-1-3-15-4-2-7/h1-5,18H,6H2
InChIKeyNPRPWPLCCNILAS-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.05
Rot. Bonds2

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

[2-pyridin-4-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanol (PubChem CID 114205003) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is [2-pyridin-4-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-pyridin-4-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanol
PubChem CID114205003
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name[2-pyridin-4-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(-c2ccncc2)nc1C(F)(F)F
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)9-8(6-18)5-16-10(17-9)7-1-3-15-4-2-7/h1-5,18H,6H2
InChIKeyNPRPWPLCCNILAS-UHFFFAOYSA-N
XLogP2.05
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-pyridin-4-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The IUPAC name of [2-pyridin-4-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanol (CID 114205003) is [2-pyridin-4-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-pyridin-4-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [2-pyridin-4-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanol is OCc1cnc(-c2ccncc2)nc1C(F)(F)F.
What is the InChIKey of [2-pyridin-4-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The InChIKey is NPRPWPLCCNILAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)9-8(6-18)5-16-10(17-9)7-1-3-15-4-2-7/h1-5,18H,6H2.
What are the key properties of [2-pyridin-4-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
[2-pyridin-4-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanol has a molecular weight of 255.20 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-pyridin-4-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 114205003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).