1-(2,5-dimethylfuran-3-yl)-2-pyridin-2-ylethanol

C13H15NO2 — CID 66461092

IUPAC1-(2,5-dimethylfuran-3-yl)-2-pyridin-2-ylethanol
SMILESCc1cc(C(O)Cc2ccccn2)c(C)o1
InChIInChI=1S/C13H15NO2/c1-9-7-12(10(2)16-9)13(15)8-11-5-3-4-6-14-11/h3-7,13,15H,8H2,1-2H3
InChIKeyBNNAGMIZZSAJJR-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.57
Rot. Bonds3

About 1-(2,5-dimethylfuran-3-yl)-2-pyridin-2-ylethanol

1-(2,5-dimethylfuran-3-yl)-2-pyridin-2-ylethanol (PubChem CID 66461092) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-2-pyridin-2-ylethanol.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-2-pyridin-2-ylethanol
PubChem CID66461092
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-(2,5-dimethylfuran-3-yl)-2-pyridin-2-ylethanol
SMILESCc1cc(C(O)Cc2ccccn2)c(C)o1
InChIInChI=1S/C13H15NO2/c1-9-7-12(10(2)16-9)13(15)8-11-5-3-4-6-14-11/h3-7,13,15H,8H2,1-2H3
InChIKeyBNNAGMIZZSAJJR-UHFFFAOYSA-N
XLogP2.57
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol
CID 114980726
1-(2-iodophenyl)-2-pyridin-2-ylethanol
CID 66459481
1,2-dipyridin-2-ylethanol
CID 11458306
1-(1-benzofuran-3-yl)-2-pyridin-2-ylethanol
CID 66458875
2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanol
CID 66459666
1-(2,5-dimethylfuran-3-yl)-4-phenylbutan-1-ol
CID 115791080
1-(2-methoxy-4,6-dimethylphenyl)-2-pyridin-2-ylethanol
CID 106680148
1-(3-bromo-4-methylphenyl)-2-pyridin-2-ylethanol
CID 81488850
1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridin-2-ylethanol
CID 67759661
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797413
1-(3-bromo-2-fluorophenyl)-2-pyridin-2-ylethanol
CID 106645019
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-2-ylethanamine
CID 43121364

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-pyridin-2-ylethanol?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-pyridin-2-ylethanol (CID 66461092) is 1-(2,5-dimethylfuran-3-yl)-2-pyridin-2-ylethanol.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-2-pyridin-2-ylethanol?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-2-pyridin-2-ylethanol is Cc1cc(C(O)Cc2ccccn2)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-2-pyridin-2-ylethanol?
The InChIKey is BNNAGMIZZSAJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-7-12(10(2)16-9)13(15)8-11-5-3-4-6-14-11/h3-7,13,15H,8H2,1-2H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-2-pyridin-2-ylethanol?
1-(2,5-dimethylfuran-3-yl)-2-pyridin-2-ylethanol has a molecular weight of 217.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-2-pyridin-2-ylethanol is sourced from PubChem (CID 66461092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).