1-(2-methylfuran-3-yl)-2-pyridin-3-ylethanol

C12H13NO2 — CID 104789605

IUPAC1-(2-methylfuran-3-yl)-2-pyridin-3-ylethanol
SMILESCc1occc1C(O)Cc1cccnc1
InChIInChI=1S/C12H13NO2/c1-9-11(4-6-15-9)12(14)7-10-3-2-5-13-8-10/h2-6,8,12,14H,7H2,1H3
InChIKeyPRLKIGSQSHWNGW-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.26
Rot. Bonds3

About 1-(2-methylfuran-3-yl)-2-pyridin-3-ylethanol

1-(2-methylfuran-3-yl)-2-pyridin-3-ylethanol (PubChem CID 104789605) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(2-methylfuran-3-yl)-2-pyridin-3-ylethanol.

Molecular Properties

Compound Name1-(2-methylfuran-3-yl)-2-pyridin-3-ylethanol
PubChem CID104789605
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-(2-methylfuran-3-yl)-2-pyridin-3-ylethanol
SMILESCc1occc1C(O)Cc1cccnc1
InChIInChI=1S/C12H13NO2/c1-9-11(4-6-15-9)12(14)7-10-3-2-5-13-8-10/h2-6,8,12,14H,7H2,1H3
InChIKeyPRLKIGSQSHWNGW-UHFFFAOYSA-N
XLogP2.26
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-2-pyridin-3-ylethanol
CID 62551193
1-(2-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 104789529
1-(2,3-difluoro-4-methylphenyl)-2-pyridin-3-ylethanol
CID 107512866
2-pyridin-3-yl-1-quinolin-4-ylethanol
CID 104735699
1-(4-methyl-3-pyridinyl)-2-phenylethanol
CID 66273306
1-(6-methyl-3-pyridinyl)-2-pyridin-3-ylethanol
CID 63155414
1-naphthalen-2-yl-2-pyridin-3-ylethanol
CID 62790666
1-(5-methyl-2-pyridinyl)-2-pyridin-3-ylethanol
CID 104735798
1-(4-phenylphenyl)-2-pyridin-3-ylethanol
CID 65455131
2-pyridin-3-yl-1-quinolin-2-ylethanol
CID 104735737
1-(3-methylthiophen-2-yl)-2-pyridin-3-ylethanol
CID 79987986
1-(2-chlorofuran-3-yl)-2-(3-methylphenyl)ethanol
CID 106689706

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylfuran-3-yl)-2-pyridin-3-ylethanol?
The IUPAC name of 1-(2-methylfuran-3-yl)-2-pyridin-3-ylethanol (CID 104789605) is 1-(2-methylfuran-3-yl)-2-pyridin-3-ylethanol.
What is the SMILES notation for 1-(2-methylfuran-3-yl)-2-pyridin-3-ylethanol?
The canonical SMILES for 1-(2-methylfuran-3-yl)-2-pyridin-3-ylethanol is Cc1occc1C(O)Cc1cccnc1.
What is the InChIKey of 1-(2-methylfuran-3-yl)-2-pyridin-3-ylethanol?
The InChIKey is PRLKIGSQSHWNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-9-11(4-6-15-9)12(14)7-10-3-2-5-13-8-10/h2-6,8,12,14H,7H2,1H3.
What are the key properties of 1-(2-methylfuran-3-yl)-2-pyridin-3-ylethanol?
1-(2-methylfuran-3-yl)-2-pyridin-3-ylethanol has a molecular weight of 203.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylfuran-3-yl)-2-pyridin-3-ylethanol is sourced from PubChem (CID 104789605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).