4-chloro-3-[phenylmethoxy-[2-(trifluoromethyl)phenyl]methyl]pyridine

C20H15ClF3NO — CID 15334800

IUPAC4-chloro-3-[phenylmethoxy-[2-(trifluoromethyl)phenyl]methyl]pyridine
SMILESFC(F)(F)c1ccccc1C(OCc1ccccc1)c1cnccc1Cl
InChIInChI=1S/C20H15ClF3NO/c21-18-10-11-25-12-16(18)19(26-13-14-6-2-1-3-7-14)15-8-4-5-9-17(15)20(22,23)24/h1-12,19H,13H2
InChIKeyFXUQGDDHXHJOMH-UHFFFAOYSA-N
MW377.79 g/mol
LogP6.06
Rot. Bonds5

About 4-chloro-3-[phenylmethoxy-[2-(trifluoromethyl)phenyl]methyl]pyridine

4-chloro-3-[phenylmethoxy-[2-(trifluoromethyl)phenyl]methyl]pyridine (PubChem CID 15334800) has the molecular formula C20H15ClF3NO and a molecular weight of 377.79 g/mol. Its IUPAC name is 4-chloro-3-[phenylmethoxy-[2-(trifluoromethyl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name4-chloro-3-[phenylmethoxy-[2-(trifluoromethyl)phenyl]methyl]pyridine
PubChem CID15334800
Molecular FormulaC20H15ClF3NO
Molecular Weight377.79 g/mol
Exact Mass377.08
IUPAC Name4-chloro-3-[phenylmethoxy-[2-(trifluoromethyl)phenyl]methyl]pyridine
SMILESFC(F)(F)c1ccccc1C(OCc1ccccc1)c1cnccc1Cl
InChIInChI=1S/C20H15ClF3NO/c21-18-10-11-25-12-16(18)19(26-13-14-6-2-1-3-7-14)15-8-4-5-9-17(15)20(22,23)24/h1-12,19H,13H2
InChIKeyFXUQGDDHXHJOMH-UHFFFAOYSA-N
XLogP6.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.79
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Parinol
CID 28768
(4-Chloro-phenyl)-pyridin-3-yl-(3-trifluoromethyl-phenyl)-methanol: (Hydrochloride)
CID 44356977
(4-Chlorophenyl)-[2-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethanol
CID 56662415
(4-Chlorophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 56665730
(4-Chlorophenyl)-(3-fluorophenyl)-pyridin-3-ylmethanol
CID 56668900
(4-Chlorophenyl)-(2-fluorophenyl)-pyridin-3-ylmethanol
CID 56669183
(4-Chlorophenyl)-(2-methylphenyl)-pyridin-3-ylmethanol
CID 56672766
3-[(2-Chlorophenyl)-(4-chlorophenyl)-methoxymethyl]pyridine
CID 56672771
(4-Chlorophenyl)-(2,4-difluorophenyl)-pyridin-3-ylmethanol
CID 56675888
(4-Chlorophenyl)-pyridin-3-yl-[2-(trifluoromethyl)phenyl]methanol
CID 56675903
(4-Chloro-2-fluorophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 56679210
(4-Chloro-2-fluorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol
CID 56679447

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[phenylmethoxy-[2-(trifluoromethyl)phenyl]methyl]pyridine?
The IUPAC name of 4-chloro-3-[phenylmethoxy-[2-(trifluoromethyl)phenyl]methyl]pyridine (CID 15334800) is 4-chloro-3-[phenylmethoxy-[2-(trifluoromethyl)phenyl]methyl]pyridine.
What is the SMILES notation for 4-chloro-3-[phenylmethoxy-[2-(trifluoromethyl)phenyl]methyl]pyridine?
The canonical SMILES for 4-chloro-3-[phenylmethoxy-[2-(trifluoromethyl)phenyl]methyl]pyridine is FC(F)(F)c1ccccc1C(OCc1ccccc1)c1cnccc1Cl.
What is the InChIKey of 4-chloro-3-[phenylmethoxy-[2-(trifluoromethyl)phenyl]methyl]pyridine?
The InChIKey is FXUQGDDHXHJOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3NO/c21-18-10-11-25-12-16(18)19(26-13-14-6-2-1-3-7-14)15-8-4-5-9-17(15)20(22,23)24/h1-12,19H,13H2.
What are the key properties of 4-chloro-3-[phenylmethoxy-[2-(trifluoromethyl)phenyl]methyl]pyridine?
4-chloro-3-[phenylmethoxy-[2-(trifluoromethyl)phenyl]methyl]pyridine has a molecular weight of 377.79 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[phenylmethoxy-[2-(trifluoromethyl)phenyl]methyl]pyridine is sourced from PubChem (CID 15334800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).