5-(2,3,4-trifluorophenyl)pyridin-3-ol

C11H6F3NO — CID 79020426

IUPAC5-(2,3,4-trifluorophenyl)pyridin-3-ol
SMILESOc1cncc(-c2ccc(F)c(F)c2F)c1
InChIInChI=1S/C11H6F3NO/c12-9-2-1-8(10(13)11(9)14)6-3-7(16)5-15-4-6/h1-5,16H
InChIKeyYRTLNLQBXKEPRT-UHFFFAOYSA-N
MW225.17 g/mol
LogP2.87
Rot. Bonds1

About 5-(2,3,4-trifluorophenyl)pyridin-3-ol

5-(2,3,4-trifluorophenyl)pyridin-3-ol (PubChem CID 79020426) has the molecular formula C11H6F3NO and a molecular weight of 225.17 g/mol. Its IUPAC name is 5-(2,3,4-trifluorophenyl)pyridin-3-ol.

Molecular Properties

Compound Name5-(2,3,4-trifluorophenyl)pyridin-3-ol
PubChem CID79020426
Molecular FormulaC11H6F3NO
Molecular Weight225.17 g/mol
Exact Mass225.04
IUPAC Name5-(2,3,4-trifluorophenyl)pyridin-3-ol
SMILESOc1cncc(-c2ccc(F)c(F)c2F)c1
InChIInChI=1S/C11H6F3NO/c12-9-2-1-8(10(13)11(9)14)6-3-7(16)5-15-4-6/h1-5,16H
InChIKeyYRTLNLQBXKEPRT-UHFFFAOYSA-N
XLogP2.87
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4-trifluorophenyl)pyridin-3-ol?
The IUPAC name of 5-(2,3,4-trifluorophenyl)pyridin-3-ol (CID 79020426) is 5-(2,3,4-trifluorophenyl)pyridin-3-ol.
What is the SMILES notation for 5-(2,3,4-trifluorophenyl)pyridin-3-ol?
The canonical SMILES for 5-(2,3,4-trifluorophenyl)pyridin-3-ol is Oc1cncc(-c2ccc(F)c(F)c2F)c1.
What is the InChIKey of 5-(2,3,4-trifluorophenyl)pyridin-3-ol?
The InChIKey is YRTLNLQBXKEPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO/c12-9-2-1-8(10(13)11(9)14)6-3-7(16)5-15-4-6/h1-5,16H.
What are the key properties of 5-(2,3,4-trifluorophenyl)pyridin-3-ol?
5-(2,3,4-trifluorophenyl)pyridin-3-ol has a molecular weight of 225.17 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4-trifluorophenyl)pyridin-3-ol is sourced from PubChem (CID 79020426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).