1-(2,3-difluoro-4-methylphenyl)-2-pyridin-3-ylethanol

C14H13F2NO — CID 107512866

IUPAC1-(2,3-difluoro-4-methylphenyl)-2-pyridin-3-ylethanol
SMILESCc1ccc(C(O)Cc2cccnc2)c(F)c1F
InChIInChI=1S/C14H13F2NO/c1-9-4-5-11(14(16)13(9)15)12(18)7-10-3-2-6-17-8-10/h2-6,8,12,18H,7H2,1H3
InChIKeyOIKKKGJSHJNMAY-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.94
Rot. Bonds3

About 1-(2,3-difluoro-4-methylphenyl)-2-pyridin-3-ylethanol

1-(2,3-difluoro-4-methylphenyl)-2-pyridin-3-ylethanol (PubChem CID 107512866) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-2-pyridin-3-ylethanol.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-2-pyridin-3-ylethanol
PubChem CID107512866
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-2-pyridin-3-ylethanol
SMILESCc1ccc(C(O)Cc2cccnc2)c(F)c1F
InChIInChI=1S/C14H13F2NO/c1-9-4-5-11(14(16)13(9)15)12(18)7-10-3-2-6-17-8-10/h2-6,8,12,18H,7H2,1H3
InChIKeyOIKKKGJSHJNMAY-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

1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 107513287
1-(2-methylphenyl)-2-pyridin-3-ylethanol
CID 62551193
1-(2-methylfuran-3-yl)-2-pyridin-3-ylethanol
CID 104789605
1-(3-methylthiophen-2-yl)-2-pyridin-3-ylethanol
CID 79987986
1-(4-methyl-3-pyridinyl)-2-phenylethanol
CID 66273306
1-(2,3-difluoro-4-methylphenyl)-4-phenylbutan-1-ol
CID 107516181
1-(6-methyl-3-pyridinyl)-2-pyridin-3-ylethanol
CID 63155414
(2,3-difluoro-4-methylphenyl)-(3-ethyl-4-pyridinyl)methanol
CID 107512987
1-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
CID 104735818
1-(5-methyl-2-pyridinyl)-2-pyridin-3-ylethanol
CID 104735798
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-pyridin-3-ylethanol
CID 106972010
1-(2,5-dimethylphenyl)-3-pyridin-3-ylpropan-2-ol
CID 62552066

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2-pyridin-3-ylethanol?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2-pyridin-3-ylethanol (CID 107512866) is 1-(2,3-difluoro-4-methylphenyl)-2-pyridin-3-ylethanol.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-2-pyridin-3-ylethanol?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-2-pyridin-3-ylethanol is Cc1ccc(C(O)Cc2cccnc2)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-2-pyridin-3-ylethanol?
The InChIKey is OIKKKGJSHJNMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-9-4-5-11(14(16)13(9)15)12(18)7-10-3-2-6-17-8-10/h2-6,8,12,18H,7H2,1H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-2-pyridin-3-ylethanol?
1-(2,3-difluoro-4-methylphenyl)-2-pyridin-3-ylethanol 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 1-(2,3-difluoro-4-methylphenyl)-2-pyridin-3-ylethanol is sourced from PubChem (CID 107512866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).