(1S)-1-(furan-2-yl)-2-(6-methyl-2-pyridinyl)ethanol

C12H13NO2 — CID 125478801

IUPAC(1S)-1-(furan-2-yl)-2-(6-methyl-2-pyridinyl)ethanol
SMILESCc1cccc(C[C@H](O)c2ccco2)n1
InChIInChI=1S/C12H13NO2/c1-9-4-2-5-10(13-9)8-11(14)12-6-3-7-15-12/h2-7,11,14H,8H2,1H3/t11-/m0/s1
InChIKeyHSQWJWFOKGZJPV-NSHDSACASA-N
MW203.24 g/mol
LogP2.26
Rot. Bonds3

About (1S)-1-(furan-2-yl)-2-(6-methyl-2-pyridinyl)ethanol

(1S)-1-(furan-2-yl)-2-(6-methyl-2-pyridinyl)ethanol (PubChem CID 125478801) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (1S)-1-(furan-2-yl)-2-(6-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(furan-2-yl)-2-(6-methyl-2-pyridinyl)ethanol
PubChem CID125478801
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(1S)-1-(furan-2-yl)-2-(6-methyl-2-pyridinyl)ethanol
SMILESCc1cccc(C[C@H](O)c2ccco2)n1
InChIInChI=1S/C12H13NO2/c1-9-4-2-5-10(13-9)8-11(14)12-6-3-7-15-12/h2-7,11,14H,8H2,1H3/t11-/m0/s1
InChIKeyHSQWJWFOKGZJPV-NSHDSACASA-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

Analyze (1S)-1-(furan-2-yl)-2-(6-methyl-2-pyridinyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-2-yl)-2-(6-methyl-2-pyridinyl)ethanol?
The IUPAC name of (1S)-1-(furan-2-yl)-2-(6-methyl-2-pyridinyl)ethanol (CID 125478801) is (1S)-1-(furan-2-yl)-2-(6-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for (1S)-1-(furan-2-yl)-2-(6-methyl-2-pyridinyl)ethanol?
The canonical SMILES for (1S)-1-(furan-2-yl)-2-(6-methyl-2-pyridinyl)ethanol is Cc1cccc(C[C@H](O)c2ccco2)n1.
What is the InChIKey of (1S)-1-(furan-2-yl)-2-(6-methyl-2-pyridinyl)ethanol?
The InChIKey is HSQWJWFOKGZJPV-NSHDSACASA-N. The full InChI is InChI=1S/C12H13NO2/c1-9-4-2-5-10(13-9)8-11(14)12-6-3-7-15-12/h2-7,11,14H,8H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-(furan-2-yl)-2-(6-methyl-2-pyridinyl)ethanol?
(1S)-1-(furan-2-yl)-2-(6-methyl-2-pyridinyl)ethanol 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 (1S)-1-(furan-2-yl)-2-(6-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 125478801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).