1-(3,4-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol

C16H17F2NO — CID 115822218

IUPAC1-(3,4-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
SMILESCCc1ccc(CC(O)Cc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C16H17F2NO/c1-2-11-3-5-13(19-10-11)9-14(20)7-12-4-6-15(17)16(18)8-12/h3-6,8,10,14,20H,2,7,9H2,1H3
InChIKeyQKPYCOZTRCCRPB-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.07
Rot. Bonds5

About 1-(3,4-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol

1-(3,4-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol (PubChem CID 115822218) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
PubChem CID115822218
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-(3,4-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
SMILESCCc1ccc(CC(O)Cc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C16H17F2NO/c1-2-11-3-5-13(19-10-11)9-14(20)7-12-4-6-15(17)16(18)8-12/h3-6,8,10,14,20H,2,7,9H2,1H3
InChIKeyQKPYCOZTRCCRPB-UHFFFAOYSA-N
XLogP3.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
CID 79745103
1-(5-ethyl-2-pyridinyl)-3-phenylpropan-2-ol
CID 79740538
1-(5-chloro-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 114853153
1-(2-chloro-4-fluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
CID 79745107
1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol
CID 79746123
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 79739804
1-(5-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 79740221
1-(5-ethyl-2-pyridinyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 79745838
1-(5-ethyl-2-pyridinyl)-3-ethylsulfanylpropan-2-ol
CID 79745603
1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 82919441
1-(4-bromo-3-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 81437627
1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol
CID 105115083

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol (CID 115822218) is 1-(3,4-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol is CCc1ccc(CC(O)Cc2ccc(F)c(F)c2)nc1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol?
The InChIKey is QKPYCOZTRCCRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-2-11-3-5-13(19-10-11)9-14(20)7-12-4-6-15(17)16(18)8-12/h3-6,8,10,14,20H,2,7,9H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol?
1-(3,4-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol has a molecular weight of 277.31 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 115822218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).