3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol

C12H7ClF3NO2 — CID 2782994

IUPAC3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol
SMILESOc1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C12H7ClF3NO2/c13-10-4-7(12(14,15)16)6-17-11(10)19-9-3-1-2-8(18)5-9/h1-6,18H
InChIKeyPQPVBXCOPBPDTC-UHFFFAOYSA-N
MW289.64 g/mol
LogP4.25
Rot. Bonds2

About 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol

3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol (PubChem CID 2782994) has the molecular formula C12H7ClF3NO2 and a molecular weight of 289.64 g/mol. Its IUPAC name is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol.

Molecular Properties

Compound Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol
PubChem CID2782994
Molecular FormulaC12H7ClF3NO2
Molecular Weight289.64 g/mol
Exact Mass289.01
IUPAC Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol
SMILESOc1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C12H7ClF3NO2/c13-10-4-7(12(14,15)16)6-17-11(10)19-9-3-1-2-8(18)5-9/h1-6,18H
InChIKeyPQPVBXCOPBPDTC-UHFFFAOYSA-N
XLogP4.25
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.64
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 620880
CID 620880
CID 9795997
CID 9795997
CID 894634
CID 894634
CID 894678
CID 894678
CID 2773895
CID 2773895
CID 2744478
CID 2744478
CID 107709644
CID 107709644
CID 172433752
CID 172433752
CID 172435826
CID 172435826
CID 172436567
CID 172436567
CID 1474127
CID 1474127
CID 4738482
CID 4738482

Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol?
The IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol (CID 2782994) is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol.
What is the SMILES notation for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol?
The canonical SMILES for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol is Oc1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol?
The InChIKey is PQPVBXCOPBPDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO2/c13-10-4-7(12(14,15)16)6-17-11(10)19-9-3-1-2-8(18)5-9/h1-6,18H.
What are the key properties of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol?
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol has a molecular weight of 289.64 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenol is sourced from PubChem (CID 2782994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).