1-(2-methyl-1,2-dihydropyridin-5-yl)ethanol

C8H13NO — CID 130802511

IUPAC1-(2-methyl-1,2-dihydropyridin-5-yl)ethanol
SMILESCC1C=CC(C(C)O)=CN1
InChIInChI=1S/C8H13NO/c1-6-3-4-8(5-9-6)7(2)10/h3-7,9-10H,1-2H3
InChIKeyCHOWXYSIWVBRHJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.80
Rot. Bonds1

About 1-(2-methyl-1,2-dihydropyridin-5-yl)ethanol

1-(2-methyl-1,2-dihydropyridin-5-yl)ethanol (PubChem CID 130802511) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(2-methyl-1,2-dihydropyridin-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-methyl-1,2-dihydropyridin-5-yl)ethanol
PubChem CID130802511
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-(2-methyl-1,2-dihydropyridin-5-yl)ethanol
SMILESCC1C=CC(C(C)O)=CN1
InChIInChI=1S/C8H13NO/c1-6-3-4-8(5-9-6)7(2)10/h3-7,9-10H,1-2H3
InChIKeyCHOWXYSIWVBRHJ-UHFFFAOYSA-N
XLogP0.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

2-Methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2-dihydropyridin-3-ol
CID 141299344
1-(6-Fluoro-1,2-dihydropyridin-5-yl)ethanol
CID 164107450
Ethane;[2-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methanol
CID 164602682
1-(1,2-Dihydropyridin-5-yl)-2,2,2-trifluoroethanol
CID 173652889
1,2-Dihydropyridin-5-ylmethanol
CID 19045944
5-(Hydroxymethyl)-2,4-dimethyl-1,2-dihydropyridin-3-ol
CID 19368202
1-(1H-azepin-3-yl)ethanol
CID 22019434
6-Amino-3-ethylcyclohexa-2,4-dien-1-ol
CID 70212276
5-(Hydroxymethyl)-2-methyl-4-(2-methylprop-1-enyl)-1,2-dihydropyridin-3-ol
CID 70473481
(3E)-4-(methylamino)-2-methylidenehexa-3,5-dien-1-ol
CID 89088346
1-(1H-azepin-4-yl)ethanol
CID 89156860
(Z,2E)-2-ethylidene-5-(methylamino)hex-3-en-1-ol
CID 89427234

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,2-dihydropyridin-5-yl)ethanol?
The IUPAC name of 1-(2-methyl-1,2-dihydropyridin-5-yl)ethanol (CID 130802511) is 1-(2-methyl-1,2-dihydropyridin-5-yl)ethanol.
What is the SMILES notation for 1-(2-methyl-1,2-dihydropyridin-5-yl)ethanol?
The canonical SMILES for 1-(2-methyl-1,2-dihydropyridin-5-yl)ethanol is CC1C=CC(C(C)O)=CN1.
What is the InChIKey of 1-(2-methyl-1,2-dihydropyridin-5-yl)ethanol?
The InChIKey is CHOWXYSIWVBRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-3-4-8(5-9-6)7(2)10/h3-7,9-10H,1-2H3.
What are the key properties of 1-(2-methyl-1,2-dihydropyridin-5-yl)ethanol?
1-(2-methyl-1,2-dihydropyridin-5-yl)ethanol has a molecular weight of 139.20 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,2-dihydropyridin-5-yl)ethanol is sourced from PubChem (CID 130802511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).