2-(1-methyl-2H-pyridin-4-yl)ethanol

C8H13NO — CID 163965841

IUPAC2-(1-methyl-2H-pyridin-4-yl)ethanol
SMILESCN1C=CC(CCO)=CC1
InChIInChI=1S/C8H13NO/c1-9-5-2-8(3-6-9)4-7-10/h2-3,5,10H,4,6-7H2,1H3
InChIKeySLRHCXVGQHSMJD-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.75
Rot. Bonds2

About 2-(1-methyl-2H-pyridin-4-yl)ethanol

2-(1-methyl-2H-pyridin-4-yl)ethanol (PubChem CID 163965841) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(1-methyl-2H-pyridin-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-methyl-2H-pyridin-4-yl)ethanol
PubChem CID163965841
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-(1-methyl-2H-pyridin-4-yl)ethanol
SMILESCN1C=CC(CCO)=CC1
InChIInChI=1S/C8H13NO/c1-9-5-2-8(3-6-9)4-7-10/h2-3,5,10H,4,6-7H2,1H3
InChIKeySLRHCXVGQHSMJD-UHFFFAOYSA-N
XLogP0.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2H-pyridin-4-yl)ethanol?
The IUPAC name of 2-(1-methyl-2H-pyridin-4-yl)ethanol (CID 163965841) is 2-(1-methyl-2H-pyridin-4-yl)ethanol.
What is the SMILES notation for 2-(1-methyl-2H-pyridin-4-yl)ethanol?
The canonical SMILES for 2-(1-methyl-2H-pyridin-4-yl)ethanol is CN1C=CC(CCO)=CC1.
What is the InChIKey of 2-(1-methyl-2H-pyridin-4-yl)ethanol?
The InChIKey is SLRHCXVGQHSMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-9-5-2-8(3-6-9)4-7-10/h2-3,5,10H,4,6-7H2,1H3.
What are the key properties of 2-(1-methyl-2H-pyridin-4-yl)ethanol?
2-(1-methyl-2H-pyridin-4-yl)ethanol has a molecular weight of 139.20 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2H-pyridin-4-yl)ethanol is sourced from PubChem (CID 163965841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).