3-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine

C25H21ClF3NO2 — CID 129241628

IUPAC3-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine
SMILESFC(F)(F)c1ccc(Cl)c(COC2(c3cnccc3-c3ccccc3OC3CC3)CC2)c1
InChIInChI=1S/C25H21ClF3NO2/c26-22-8-5-17(25(27,28)29)13-16(22)15-31-24(10-11-24)21-14-30-12-9-19(21)20-3-1-2-4-23(20)32-18-6-7-18/h1-5,8-9,12-14,18H,6-7,10-11,15H2
InChIKeyVFXAEKBOBAVYEE-UHFFFAOYSA-N
MW459.90 g/mol
LogP7.17
Rot. Bonds7

About 3-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine

3-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine (PubChem CID 129241628) has the molecular formula C25H21ClF3NO2 and a molecular weight of 459.90 g/mol. Its IUPAC name is 3-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine.

Molecular Properties

Compound Name3-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine
PubChem CID129241628
Molecular FormulaC25H21ClF3NO2
Molecular Weight459.90 g/mol
Exact Mass459.12
IUPAC Name3-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine
SMILESFC(F)(F)c1ccc(Cl)c(COC2(c3cnccc3-c3ccccc3OC3CC3)CC2)c1
InChIInChI=1S/C25H21ClF3NO2/c26-22-8-5-17(25(27,28)29)13-16(22)15-31-24(10-11-24)21-14-30-12-9-19(21)20-3-1-2-4-23(20)32-18-6-7-18/h1-5,8-9,12-14,18H,6-7,10-11,15H2
InChIKeyVFXAEKBOBAVYEE-UHFFFAOYSA-N
XLogP7.17
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.90
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine with MolForge

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Related Compounds

3-(3-(3-Chlorobenzyloxy)-5-methylphenyl)pyridine
CID 44409820
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(4-Chlorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
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(4-Chlorophenyl)-(2-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
CID 56669042
(4-Chlorophenyl)-(4-methoxyphenyl)-pyridin-3-ylmethanol
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(4-Chlorophenyl)-(3-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
CID 57521779
(4-Chlorophenyl)-(2-fluoro-4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
CID 57522241
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CID 75104196
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CID 22612319
2-(2-Benzyloxy-pyridin-4-yl)-3-(2,4-dichloro-phenyl)-1,1,1-trifluoro-butan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine?
The IUPAC name of 3-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine (CID 129241628) is 3-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine.
What is the SMILES notation for 3-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine?
The canonical SMILES for 3-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine is FC(F)(F)c1ccc(Cl)c(COC2(c3cnccc3-c3ccccc3OC3CC3)CC2)c1.
What is the InChIKey of 3-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine?
The InChIKey is VFXAEKBOBAVYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF3NO2/c26-22-8-5-17(25(27,28)29)13-16(22)15-31-24(10-11-24)21-14-30-12-9-19(21)20-3-1-2-4-23(20)32-18-6-7-18/h1-5,8-9,12-14,18H,6-7,10-11,15H2.
What are the key properties of 3-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine?
3-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine has a molecular weight of 459.90 g/mol, XLogP of 7.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine is sourced from PubChem (CID 129241628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).