2-chloro-5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine

C22H14Cl2F3N3O — CID 59240301

IUPAC2-chloro-5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine
SMILESFC(F)(F)c1cc(COc2ccc(-c3ccc(Cl)nc3)cc2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C22H14Cl2F3N3O/c23-18-3-1-2-4-19(18)30-16(11-20(29-30)22(25,26)27)13-31-17-8-5-14(6-9-17)15-7-10-21(24)28-12-15/h1-12H,13H2
InChIKeyUNXCZTCVAUZLEB-UHFFFAOYSA-N
MW464.27 g/mol
LogP6.84
Rot. Bonds5

About 2-chloro-5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine

2-chloro-5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine (PubChem CID 59240301) has the molecular formula C22H14Cl2F3N3O and a molecular weight of 464.27 g/mol. Its IUPAC name is 2-chloro-5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine
PubChem CID59240301
Molecular FormulaC22H14Cl2F3N3O
Molecular Weight464.27 g/mol
Exact Mass463.05
IUPAC Name2-chloro-5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine
SMILESFC(F)(F)c1cc(COc2ccc(-c3ccc(Cl)nc3)cc2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C22H14Cl2F3N3O/c23-18-3-1-2-4-19(18)30-16(11-20(29-30)22(25,26)27)13-31-17-8-5-14(6-9-17)15-7-10-21(24)28-12-15/h1-12H,13H2
InChIKeyUNXCZTCVAUZLEB-UHFFFAOYSA-N
XLogP6.84
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.27
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-{4-[4-Pyridin-4-YL-1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-3-YL]-phenoxymethyl}-quinoline
CID 11648276
Jnj-42259152
CID 51353528
2-(3-chlorophenyl)-3-(fluoromethoxy)-6-[(1-(111C)methylpyrazol-4-yl)methyl]pyridine
CID 168279860
8-(3,5-Dichloro-pyridin-4-ylmethoxy)-2-methyl-4-pyrazol-1-yl-quinoline
CID 44191225
2-Ethoxy-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
CID 53465400
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3,4,5-trimethylpyridine
CID 53465404
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine
CID 53466372
2-[[4-[1-(3-Fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine
CID 53466374
5-Methoxy-2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]pyridine
CID 53466375
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-(trifluoromethyl)pyridine
CID 53466378
2-Cyclopropyl-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
CID 53466456
3-Methoxy-2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]pyridine
CID 53466457

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine?
The IUPAC name of 2-chloro-5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine (CID 59240301) is 2-chloro-5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine.
What is the SMILES notation for 2-chloro-5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine?
The canonical SMILES for 2-chloro-5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine is FC(F)(F)c1cc(COc2ccc(-c3ccc(Cl)nc3)cc2)n(-c2ccccc2Cl)n1.
What is the InChIKey of 2-chloro-5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine?
The InChIKey is UNXCZTCVAUZLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2F3N3O/c23-18-3-1-2-4-19(18)30-16(11-20(29-30)22(25,26)27)13-31-17-8-5-14(6-9-17)15-7-10-21(24)28-12-15/h1-12H,13H2.
What are the key properties of 2-chloro-5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine?
2-chloro-5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine has a molecular weight of 464.27 g/mol, XLogP of 6.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine is sourced from PubChem (CID 59240301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).