2-(3,4-difluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol

C14H13F2NO — CID 82919760

IUPAC2-(3,4-difluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol
SMILESCc1cnccc1C(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H13F2NO/c1-9-8-17-5-4-11(9)14(18)7-10-2-3-12(15)13(16)6-10/h2-6,8,14,18H,7H2,1H3
InChIKeyYCJLCAXNAVELQD-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.94
Rot. Bonds3

About 2-(3,4-difluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol

2-(3,4-difluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol (PubChem CID 82919760) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol
PubChem CID82919760
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name2-(3,4-difluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol
SMILESCc1cnccc1C(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H13F2NO/c1-9-8-17-5-4-11(9)14(18)7-10-2-3-12(15)13(16)6-10/h2-6,8,14,18H,7H2,1H3
InChIKeyYCJLCAXNAVELQD-UHFFFAOYSA-N
XLogP2.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol
CID 107884336
2-(4-chloro-3-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanol
CID 114012571
1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-difluorophenyl)ethanol
CID 115484531
(1R)-2-amino-1-(3-methyl-4-pyridinyl)ethanol
CID 96848687
1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 82919441
[2-(3-chloro-4-fluorophenyl)-1-(3-methyl-4-pyridinyl)ethyl]hydrazine
CID 103044062
[2-(3,4-difluorophenyl)-1-(3-methoxy-4-pyridinyl)ethyl]hydrazine
CID 105330426
1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylethanol
CID 62791168
1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 82920437
1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114698678
2-(3-chlorophenyl)-1-(4-methyl-3-pyridinyl)ethanol
CID 66271614
1-(4-methyl-3-pyridinyl)-2-pyridin-4-ylethanol
CID 66273541

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol (CID 82919760) is 2-(3,4-difluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol is Cc1cnccc1C(O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol?
The InChIKey is YCJLCAXNAVELQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-9-8-17-5-4-11(9)14(18)7-10-2-3-12(15)13(16)6-10/h2-6,8,14,18H,7H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol?
2-(3,4-difluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol has a molecular weight of 249.26 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol is sourced from PubChem (CID 82919760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).