2-(2-methyl-1,2-dihydropyridin-6-yl)ethanol

C8H13NO — CID 126647725

IUPAC2-(2-methyl-1,2-dihydropyridin-6-yl)ethanol
SMILESCC1C=CC=C(CCO)N1
InChIInChI=1S/C8H13NO/c1-7-3-2-4-8(9-7)5-6-10/h2-4,7,9-10H,5-6H2,1H3
InChIKeyMHMGSBTYUHKLSF-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.80
Rot. Bonds2

About 2-(2-methyl-1,2-dihydropyridin-6-yl)ethanol

2-(2-methyl-1,2-dihydropyridin-6-yl)ethanol (PubChem CID 126647725) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(2-methyl-1,2-dihydropyridin-6-yl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-1,2-dihydropyridin-6-yl)ethanol
PubChem CID126647725
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-(2-methyl-1,2-dihydropyridin-6-yl)ethanol
SMILESCC1C=CC=C(CCO)N1
InChIInChI=1S/C8H13NO/c1-7-3-2-4-8(9-7)5-6-10/h2-4,7,9-10H,5-6H2,1H3
InChIKeyMHMGSBTYUHKLSF-UHFFFAOYSA-N
XLogP0.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,2-dihydropyridin-6-yl)ethanol?
The IUPAC name of 2-(2-methyl-1,2-dihydropyridin-6-yl)ethanol (CID 126647725) is 2-(2-methyl-1,2-dihydropyridin-6-yl)ethanol.
What is the SMILES notation for 2-(2-methyl-1,2-dihydropyridin-6-yl)ethanol?
The canonical SMILES for 2-(2-methyl-1,2-dihydropyridin-6-yl)ethanol is CC1C=CC=C(CCO)N1.
What is the InChIKey of 2-(2-methyl-1,2-dihydropyridin-6-yl)ethanol?
The InChIKey is MHMGSBTYUHKLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7-3-2-4-8(9-7)5-6-10/h2-4,7,9-10H,5-6H2,1H3.
What are the key properties of 2-(2-methyl-1,2-dihydropyridin-6-yl)ethanol?
2-(2-methyl-1,2-dihydropyridin-6-yl)ethanol has a molecular weight of 139.20 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,2-dihydropyridin-6-yl)ethanol is sourced from PubChem (CID 126647725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).