2,3-dichloro-4-[4-(trifluoromethyl)phenoxy]pyridine;2,3,4-trichloropyridine;4-(trifluoromethyl)phenol

C24H13Cl5F6N2O2 — CID 164959559

IUPAC2,3-dichloro-4-[4-(trifluoromethyl)phenoxy]pyridine;2,3,4-trichloropyridine;4-(trifluoromethyl)phenol
SMILESClc1ccnc(Cl)c1Cl.FC(F)(F)c1ccc(Oc2ccnc(Cl)c2Cl)cc1.Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H6Cl2F3NO.C7H5F3O.C5H2Cl3N/c13-10-9(5-6-18-11(10)14)19-8-3-1-7(2-4-8)12(15,16)17;8-7(9,10)5-1-3-6(11)4-2-5;6-3-1-2-9-5(8)4(3)7/h1-6H;1-4,11H;1-2H
InChIKeyBQJIUXDJWZWQTC-UHFFFAOYSA-N
MW652.63 g/mol
LogP10.65
Rot. Bonds2

About 2,3-dichloro-4-[4-(trifluoromethyl)phenoxy]pyridine;2,3,4-trichloropyridine;4-(trifluoromethyl)phenol

2,3-dichloro-4-[4-(trifluoromethyl)phenoxy]pyridine;2,3,4-trichloropyridine;4-(trifluoromethyl)phenol (PubChem CID 164959559) has the molecular formula C24H13Cl5F6N2O2 and a molecular weight of 652.63 g/mol. Its IUPAC name is 2,3-dichloro-4-[4-(trifluoromethyl)phenoxy]pyridine;2,3,4-trichloropyridine;4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2,3-dichloro-4-[4-(trifluoromethyl)phenoxy]pyridine;2,3,4-trichloropyridine;4-(trifluoromethyl)phenol
PubChem CID164959559
Molecular FormulaC24H13Cl5F6N2O2
Molecular Weight652.63 g/mol
Exact Mass649.93
IUPAC Name2,3-dichloro-4-[4-(trifluoromethyl)phenoxy]pyridine;2,3,4-trichloropyridine;4-(trifluoromethyl)phenol
SMILESClc1ccnc(Cl)c1Cl.FC(F)(F)c1ccc(Oc2ccnc(Cl)c2Cl)cc1.Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H6Cl2F3NO.C7H5F3O.C5H2Cl3N/c13-10-9(5-6-18-11(10)14)19-8-3-1-7(2-4-8)12(15,16)17;8-7(9,10)5-1-3-6(11)4-2-5;6-3-1-2-9-5(8)4(3)7/h1-6H;1-4,11H;1-2H
InChIKeyBQJIUXDJWZWQTC-UHFFFAOYSA-N
XLogP10.65
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.63
LogP ≤ 510.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,3-dichloro-4-[4-(trifluoromethyl)phenoxy]pyridine;2,3,4-trichloropyridine;4-(trifluoromethyl)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

4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 12940613
1-chloro-8-[4-(trifluoromethyl)phenoxy]isoquinoline
CID 125474197
CID 160573675
CID 160573675
4-(trifluoromethyl)(18F)phenol
CID 71660610
4-[4-(trifluoromethyl)phenoxy]quinolin-8-amine
CID 71678550
4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]sulfanylphenol
CID 139697363
2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 15574482
4-[4-(trifluoromethyl)phenoxy]quinoline-8-carbonitrile
CID 135373744
2-chloro-4-[4-(trifluoromethyl)phenoxy]pyrimidine;2,4-dichloropyrimidine
CID 162220727
2-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzene-1,4-diol
CID 174418680
6-[2-chloro-4-(trifluoromethyl)phenoxy]quinoxaline
CID 14255780
4-chloro-3-[[4-(trifluoromethyl)phenyl]methoxy]phenol
CID 142618666

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-[4-(trifluoromethyl)phenoxy]pyridine;2,3,4-trichloropyridine;4-(trifluoromethyl)phenol?
The IUPAC name of 2,3-dichloro-4-[4-(trifluoromethyl)phenoxy]pyridine;2,3,4-trichloropyridine;4-(trifluoromethyl)phenol (CID 164959559) is 2,3-dichloro-4-[4-(trifluoromethyl)phenoxy]pyridine;2,3,4-trichloropyridine;4-(trifluoromethyl)phenol.
What is the SMILES notation for 2,3-dichloro-4-[4-(trifluoromethyl)phenoxy]pyridine;2,3,4-trichloropyridine;4-(trifluoromethyl)phenol?
The canonical SMILES for 2,3-dichloro-4-[4-(trifluoromethyl)phenoxy]pyridine;2,3,4-trichloropyridine;4-(trifluoromethyl)phenol is Clc1ccnc(Cl)c1Cl.FC(F)(F)c1ccc(Oc2ccnc(Cl)c2Cl)cc1.Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,3-dichloro-4-[4-(trifluoromethyl)phenoxy]pyridine;2,3,4-trichloropyridine;4-(trifluoromethyl)phenol?
The InChIKey is BQJIUXDJWZWQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F3NO.C7H5F3O.C5H2Cl3N/c13-10-9(5-6-18-11(10)14)19-8-3-1-7(2-4-8)12(15,16)17;8-7(9,10)5-1-3-6(11)4-2-5;6-3-1-2-9-5(8)4(3)7/h1-6H;1-4,11H;1-2H.
What are the key properties of 2,3-dichloro-4-[4-(trifluoromethyl)phenoxy]pyridine;2,3,4-trichloropyridine;4-(trifluoromethyl)phenol?
2,3-dichloro-4-[4-(trifluoromethyl)phenoxy]pyridine;2,3,4-trichloropyridine;4-(trifluoromethyl)phenol has a molecular weight of 652.63 g/mol, XLogP of 10.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-[4-(trifluoromethyl)phenoxy]pyridine;2,3,4-trichloropyridine;4-(trifluoromethyl)phenol is sourced from PubChem (CID 164959559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).