2-(4-amino-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanol

C12H14N2O2 — CID 104800650

IUPAC2-(4-amino-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanol
SMILESCc1ccoc1C(O)Cc1cnccc1N
InChIInChI=1S/C12H14N2O2/c1-8-3-5-16-12(8)11(15)6-9-7-14-4-2-10(9)13/h2-5,7,11,15H,6H2,1H3,(H2,13,14)
InChIKeyZBIWWQLSJHHUFL-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.84
Rot. Bonds3

About 2-(4-amino-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanol

2-(4-amino-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanol (PubChem CID 104800650) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(4-amino-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-amino-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanol
PubChem CID104800650
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(4-amino-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanol
SMILESCc1ccoc1C(O)Cc1cnccc1N
InChIInChI=1S/C12H14N2O2/c1-8-3-5-16-12(8)11(15)6-9-7-14-4-2-10(9)13/h2-5,7,11,15H,6H2,1H3,(H2,13,14)
InChIKeyZBIWWQLSJHHUFL-UHFFFAOYSA-N
XLogP1.84
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanol
CID 63017347
3-[amino-(3-methylfuran-2-yl)methyl]pyridin-4-amine
CID 104804566
6-(4-amino-3-pyridinyl)-2-methylhexan-3-ol
CID 64515366
1-(3-methylfuran-2-yl)-2-phenylethanol
CID 63016431
2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethanol
CID 104800627
1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol
CID 103449230
1-(3-methylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 104800764
2-(4-amino-3-pyridinyl)-1-(2-methylfuran-3-yl)ethanone
CID 104789293
1-(3-methylfuran-2-yl)nonan-1-ol
CID 104800699
2-(2-bromo-3-fluorophenyl)-1-(3-methylfuran-2-yl)ethanol
CID 104800910
3-(2-hydrazinyl-3-methylbutyl)pyridin-4-amine
CID 105199730
3-(2-chlorobutyl)pyridin-4-amine
CID 130480258

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanol?
The IUPAC name of 2-(4-amino-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanol (CID 104800650) is 2-(4-amino-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanol.
What is the SMILES notation for 2-(4-amino-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanol?
The canonical SMILES for 2-(4-amino-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanol is Cc1ccoc1C(O)Cc1cnccc1N.
What is the InChIKey of 2-(4-amino-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanol?
The InChIKey is ZBIWWQLSJHHUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-3-5-16-12(8)11(15)6-9-7-14-4-2-10(9)13/h2-5,7,11,15H,6H2,1H3,(H2,13,14).
What are the key properties of 2-(4-amino-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanol?
2-(4-amino-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanol has a molecular weight of 218.26 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanol is sourced from PubChem (CID 104800650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).