[5-pyridin-3-yl-3-(trifluoromethyl)-2-pyridinyl]methanol

C12H9F3N2O — CID 131870150

IUPAC[5-pyridin-3-yl-3-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1ncc(-c2cccnc2)cc1C(F)(F)F
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)10-4-9(6-17-11(10)7-18)8-2-1-3-16-5-8/h1-6,18H,7H2
InChIKeyVCPCMBPCKKFFNR-UHFFFAOYSA-N
MW254.21 g/mol
LogP2.65
Rot. Bonds2

About [5-pyridin-3-yl-3-(trifluoromethyl)-2-pyridinyl]methanol

[5-pyridin-3-yl-3-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 131870150) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is [5-pyridin-3-yl-3-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-pyridin-3-yl-3-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID131870150
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name[5-pyridin-3-yl-3-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1ncc(-c2cccnc2)cc1C(F)(F)F
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)10-4-9(6-17-11(10)7-18)8-2-1-3-16-5-8/h1-6,18H,7H2
InChIKeyVCPCMBPCKKFFNR-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-pyridin-3-yl-3-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [5-pyridin-3-yl-3-(trifluoromethyl)-2-pyridinyl]methanol (CID 131870150) is [5-pyridin-3-yl-3-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [5-pyridin-3-yl-3-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [5-pyridin-3-yl-3-(trifluoromethyl)-2-pyridinyl]methanol is OCc1ncc(-c2cccnc2)cc1C(F)(F)F.
What is the InChIKey of [5-pyridin-3-yl-3-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is VCPCMBPCKKFFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c13-12(14,15)10-4-9(6-17-11(10)7-18)8-2-1-3-16-5-8/h1-6,18H,7H2.
What are the key properties of [5-pyridin-3-yl-3-(trifluoromethyl)-2-pyridinyl]methanol?
[5-pyridin-3-yl-3-(trifluoromethyl)-2-pyridinyl]methanol has a molecular weight of 254.21 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-pyridin-3-yl-3-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 131870150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).