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

C13H10F3NO — CID 133091916

IUPAC2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
SMILESCc1nccc(-c2cccc(C(F)(F)F)c2)c1O
InChIInChI=1S/C13H10F3NO/c1-8-12(18)11(5-6-17-8)9-3-2-4-10(7-9)13(14,15)16/h2-7,18H,1H3
InChIKeyURSGCAPAVHKOSJ-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.78
Rot. Bonds1

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

2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol (PubChem CID 133091916) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol.

Molecular Properties

Compound Name2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
PubChem CID133091916
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
SMILESCc1nccc(-c2cccc(C(F)(F)F)c2)c1O
InChIInChI=1S/C13H10F3NO/c1-8-12(18)11(5-6-17-8)9-3-2-4-10(7-9)13(14,15)16/h2-7,18H,1H3
InChIKeyURSGCAPAVHKOSJ-UHFFFAOYSA-N
XLogP3.78
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol?
The IUPAC name of 2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol (CID 133091916) is 2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol.
What is the SMILES notation for 2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol?
The canonical SMILES for 2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol is Cc1nccc(-c2cccc(C(F)(F)F)c2)c1O.
What is the InChIKey of 2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol?
The InChIKey is URSGCAPAVHKOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c1-8-12(18)11(5-6-17-8)9-3-2-4-10(7-9)13(14,15)16/h2-7,18H,1H3.
What are the key properties of 2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol?
2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol has a molecular weight of 253.22 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol is sourced from PubChem (CID 133091916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).