3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-2-propyl-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine

C25H25ClF2N2O2 — CID 123788244

IUPAC3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-2-propyl-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine
SMILESCCCc1nc(OCC2CC2)ccc1Cc1cnc(OC(F)F)c(-c2cccc(Cl)c2)c1
InChIInChI=1S/C25H25ClF2N2O2/c1-2-4-22-19(9-10-23(30-22)31-15-16-7-8-16)11-17-12-21(18-5-3-6-20(26)13-18)24(29-14-17)32-25(27)28/h3,5-6,9-10,12-14,16,25H,2,4,7-8,11,15H2,1H3
InChIKeyYTIYOFVKWIMVLI-UHFFFAOYSA-N
MW458.94 g/mol
LogP6.73
Rot. Bonds10

About 3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-2-propyl-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine

3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-2-propyl-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine (PubChem CID 123788244) has the molecular formula C25H25ClF2N2O2 and a molecular weight of 458.94 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-2-propyl-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-2-propyl-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine
PubChem CID123788244
Molecular FormulaC25H25ClF2N2O2
Molecular Weight458.94 g/mol
Exact Mass458.16
IUPAC Name3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-2-propyl-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine
SMILESCCCc1nc(OCC2CC2)ccc1Cc1cnc(OC(F)F)c(-c2cccc(Cl)c2)c1
InChIInChI=1S/C25H25ClF2N2O2/c1-2-4-22-19(9-10-23(30-22)31-15-16-7-8-16)11-17-12-21(18-5-3-6-20(26)13-18)24(29-14-17)32-25(27)28/h3,5-6,9-10,12-14,16,25H,2,4,7-8,11,15H2,1H3
InChIKeyYTIYOFVKWIMVLI-UHFFFAOYSA-N
XLogP6.73
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.94
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-2-propyl-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine?
The IUPAC name of 3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-2-propyl-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine (CID 123788244) is 3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-2-propyl-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine.
What is the SMILES notation for 3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-2-propyl-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine?
The canonical SMILES for 3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-2-propyl-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine is CCCc1nc(OCC2CC2)ccc1Cc1cnc(OC(F)F)c(-c2cccc(Cl)c2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-2-propyl-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine?
The InChIKey is YTIYOFVKWIMVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClF2N2O2/c1-2-4-22-19(9-10-23(30-22)31-15-16-7-8-16)11-17-12-21(18-5-3-6-20(26)13-18)24(29-14-17)32-25(27)28/h3,5-6,9-10,12-14,16,25H,2,4,7-8,11,15H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-2-propyl-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine?
3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-2-propyl-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine has a molecular weight of 458.94 g/mol, XLogP of 6.73, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-2-propyl-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine is sourced from PubChem (CID 123788244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).