2-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol

C18H13F3N2O — CID 56981516

IUPAC2-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
SMILESOc1c(-c2cccc(C(F)(F)F)c2)ccnc1Cc1cccnc1
InChIInChI=1S/C18H13F3N2O/c19-18(20,21)14-5-1-4-13(10-14)15-6-8-23-16(17(15)24)9-12-3-2-7-22-11-12/h1-8,10-11,24H,9H2
InChIKeyAMJDCFKIVQOWHL-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.46
Rot. Bonds3

About 2-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol

2-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol (PubChem CID 56981516) has the molecular formula C18H13F3N2O and a molecular weight of 330.31 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol.

Molecular Properties

Compound Name2-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
PubChem CID56981516
Molecular FormulaC18H13F3N2O
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC Name2-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
SMILESOc1c(-c2cccc(C(F)(F)F)c2)ccnc1Cc1cccnc1
InChIInChI=1S/C18H13F3N2O/c19-18(20,21)14-5-1-4-13(10-14)15-6-8-23-16(17(15)24)9-12-3-2-7-22-11-12/h1-8,10-11,24H,9H2
InChIKeyAMJDCFKIVQOWHL-UHFFFAOYSA-N
XLogP4.46
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol?
The IUPAC name of 2-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol (CID 56981516) is 2-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol.
What is the SMILES notation for 2-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol?
The canonical SMILES for 2-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol is Oc1c(-c2cccc(C(F)(F)F)c2)ccnc1Cc1cccnc1.
What is the InChIKey of 2-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol?
The InChIKey is AMJDCFKIVQOWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O/c19-18(20,21)14-5-1-4-13(10-14)15-6-8-23-16(17(15)24)9-12-3-2-7-22-11-12/h1-8,10-11,24H,9H2.
What are the key properties of 2-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol?
2-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol has a molecular weight of 330.31 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol is sourced from PubChem (CID 56981516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).