2-(2-cyclobutyloxy-1,1-difluoroethyl)-5-[[3-(2-ethylphenyl)-2-pyridinyl]methyl]pyridine

C25H26F2N2O — CID 135246880

IUPAC2-(2-cyclobutyloxy-1,1-difluoroethyl)-5-[[3-(2-ethylphenyl)-2-pyridinyl]methyl]pyridine
SMILESCCc1ccccc1-c1cccnc1Cc1ccc(C(F)(F)COC2CCC2)nc1
InChIInChI=1S/C25H26F2N2O/c1-2-19-7-3-4-10-21(19)22-11-6-14-28-23(22)15-18-12-13-24(29-16-18)25(26,27)17-30-20-8-5-9-20/h3-4,6-7,10-14,16,20H,2,5,8-9,15,17H2,1H3
InChIKeyRRADVCPVBCOCLA-UHFFFAOYSA-N
MW408.49 g/mol
LogP5.96
Rot. Bonds8

About 2-(2-cyclobutyloxy-1,1-difluoroethyl)-5-[[3-(2-ethylphenyl)-2-pyridinyl]methyl]pyridine

2-(2-cyclobutyloxy-1,1-difluoroethyl)-5-[[3-(2-ethylphenyl)-2-pyridinyl]methyl]pyridine (PubChem CID 135246880) has the molecular formula C25H26F2N2O and a molecular weight of 408.49 g/mol. Its IUPAC name is 2-(2-cyclobutyloxy-1,1-difluoroethyl)-5-[[3-(2-ethylphenyl)-2-pyridinyl]methyl]pyridine.

Molecular Properties

Compound Name2-(2-cyclobutyloxy-1,1-difluoroethyl)-5-[[3-(2-ethylphenyl)-2-pyridinyl]methyl]pyridine
PubChem CID135246880
Molecular FormulaC25H26F2N2O
Molecular Weight408.49 g/mol
Exact Mass408.20
IUPAC Name2-(2-cyclobutyloxy-1,1-difluoroethyl)-5-[[3-(2-ethylphenyl)-2-pyridinyl]methyl]pyridine
SMILESCCc1ccccc1-c1cccnc1Cc1ccc(C(F)(F)COC2CCC2)nc1
InChIInChI=1S/C25H26F2N2O/c1-2-19-7-3-4-10-21(19)22-11-6-14-28-23(22)15-18-12-13-24(29-16-18)25(26,27)17-30-20-8-5-9-20/h3-4,6-7,10-14,16,20H,2,5,8-9,15,17H2,1H3
InChIKeyRRADVCPVBCOCLA-UHFFFAOYSA-N
XLogP5.96
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(cyclobutylmethoxy)cyclohepta-1,3,5-trien-1-yl]-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridine
CID 135246912
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CID 135246921
5-(cyclobutyloxymethyl)-2-methylpyridine
CID 148700580
2-[[4-(difluoromethyl)-3-methylphenyl]methyl]-3-(4-ethyl-3-pyridinyl)pyridine
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1-cyclopentyloxy-3-[(3-ethyl-2-pyridinyl)methylamino]propan-2-ol
CID 82738008
azane;ethyl 2-(2-benzyl-3-pyridinyl)acetate
CID 174610812
5-[[3-(2-ethyl-4-fluorophenyl)-2-pyridinyl]methyl]-2-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine
CID 135246607
2,3-diethylpyridine
CID 14747123
2-ethyl-3-(2,2,2-trifluoroethyl)pyridine
CID 177328256
3-cyclopropyl-N-[(3-ethyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 82733186
3-ethoxy-N-[(3-ethyl-2-pyridinyl)methyl]spiro[3.4]octan-1-amine
CID 82732874
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82733889

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutyloxy-1,1-difluoroethyl)-5-[[3-(2-ethylphenyl)-2-pyridinyl]methyl]pyridine?
The IUPAC name of 2-(2-cyclobutyloxy-1,1-difluoroethyl)-5-[[3-(2-ethylphenyl)-2-pyridinyl]methyl]pyridine (CID 135246880) is 2-(2-cyclobutyloxy-1,1-difluoroethyl)-5-[[3-(2-ethylphenyl)-2-pyridinyl]methyl]pyridine.
What is the SMILES notation for 2-(2-cyclobutyloxy-1,1-difluoroethyl)-5-[[3-(2-ethylphenyl)-2-pyridinyl]methyl]pyridine?
The canonical SMILES for 2-(2-cyclobutyloxy-1,1-difluoroethyl)-5-[[3-(2-ethylphenyl)-2-pyridinyl]methyl]pyridine is CCc1ccccc1-c1cccnc1Cc1ccc(C(F)(F)COC2CCC2)nc1.
What is the InChIKey of 2-(2-cyclobutyloxy-1,1-difluoroethyl)-5-[[3-(2-ethylphenyl)-2-pyridinyl]methyl]pyridine?
The InChIKey is RRADVCPVBCOCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N2O/c1-2-19-7-3-4-10-21(19)22-11-6-14-28-23(22)15-18-12-13-24(29-16-18)25(26,27)17-30-20-8-5-9-20/h3-4,6-7,10-14,16,20H,2,5,8-9,15,17H2,1H3.
What are the key properties of 2-(2-cyclobutyloxy-1,1-difluoroethyl)-5-[[3-(2-ethylphenyl)-2-pyridinyl]methyl]pyridine?
2-(2-cyclobutyloxy-1,1-difluoroethyl)-5-[[3-(2-ethylphenyl)-2-pyridinyl]methyl]pyridine has a molecular weight of 408.49 g/mol, XLogP of 5.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutyloxy-1,1-difluoroethyl)-5-[[3-(2-ethylphenyl)-2-pyridinyl]methyl]pyridine is sourced from PubChem (CID 135246880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).