2-chloro-5-[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine

C19H13ClF3N — CID 22748796

IUPAC2-chloro-5-[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine
SMILESFC(F)(F)c1ccc(C(c2ccccc2)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C19H13ClF3N/c20-17-11-8-15(12-24-17)18(13-4-2-1-3-5-13)14-6-9-16(10-7-14)19(21,22)23/h1-12,18H
InChIKeyXQGPHLMMBVKEED-UHFFFAOYSA-N
MW347.77 g/mol
LogP5.93
Rot. Bonds3

About 2-chloro-5-[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine

2-chloro-5-[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine (PubChem CID 22748796) has the molecular formula C19H13ClF3N and a molecular weight of 347.77 g/mol. Its IUPAC name is 2-chloro-5-[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine
PubChem CID22748796
Molecular FormulaC19H13ClF3N
Molecular Weight347.77 g/mol
Exact Mass347.07
IUPAC Name2-chloro-5-[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine
SMILESFC(F)(F)c1ccc(C(c2ccccc2)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C19H13ClF3N/c20-17-11-8-15(12-24-17)18(13-4-2-1-3-5-13)14-6-9-16(10-7-14)19(21,22)23/h1-12,18H
InChIKeyXQGPHLMMBVKEED-UHFFFAOYSA-N
XLogP5.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.77
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(+-)-Chlorpheniramine
CID 2725
Dexchlorpheniramine
CID 33036
2-Chloro-5-(trifluoromethyl)pyridine
CID 92342
3-Benzhydrylpyridine
CID 77251
4-Benzhydrylpyridine
CID 77252
(-)-Chlorpheniramine
CID 716121
4-Chlorobenzo(f)isoquinoline
CID 11401613
2-(4'-Chlorobenzyl)pyridine
CID 78054
Isoquinoline, 1-chloro-
CID 140539
alpha-(4-Chlorophenyl)-2-pyridineacetonitrile
CID 99025
4-(2,2-Diphenylethenyl)pyridine
CID 4594970
4-((3'',4''-Difluorobiphenyl-4-yl)methyl)pyridine
CID 46901616

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine?
The IUPAC name of 2-chloro-5-[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine (CID 22748796) is 2-chloro-5-[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine.
What is the SMILES notation for 2-chloro-5-[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine?
The canonical SMILES for 2-chloro-5-[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine is FC(F)(F)c1ccc(C(c2ccccc2)c2ccc(Cl)nc2)cc1.
What is the InChIKey of 2-chloro-5-[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine?
The InChIKey is XQGPHLMMBVKEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N/c20-17-11-8-15(12-24-17)18(13-4-2-1-3-5-13)14-6-9-16(10-7-14)19(21,22)23/h1-12,18H.
What are the key properties of 2-chloro-5-[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine?
2-chloro-5-[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine has a molecular weight of 347.77 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[phenyl-[4-(trifluoromethyl)phenyl]methyl]pyridine is sourced from PubChem (CID 22748796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).