(1S)-1-(2-methyl-1,2-dihydropyridin-4-yl)ethane-1,2-diol

C8H13NO2 — CID 147918854

IUPAC(1S)-1-(2-methyl-1,2-dihydropyridin-4-yl)ethane-1,2-diol
SMILESCC1C=C([C@H](O)CO)C=CN1
InChIInChI=1S/C8H13NO2/c1-6-4-7(2-3-9-6)8(11)5-10/h2-4,6,8-11H,5H2,1H3/t6?,8-/m1/s1
InChIKeyIHPTUZONWGZRIG-QFSRMBNQSA-N
MW155.20 g/mol
LogP-0.23
Rot. Bonds2

About (1S)-1-(2-methyl-1,2-dihydropyridin-4-yl)ethane-1,2-diol

(1S)-1-(2-methyl-1,2-dihydropyridin-4-yl)ethane-1,2-diol (PubChem CID 147918854) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (1S)-1-(2-methyl-1,2-dihydropyridin-4-yl)ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-(2-methyl-1,2-dihydropyridin-4-yl)ethane-1,2-diol
PubChem CID147918854
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(1S)-1-(2-methyl-1,2-dihydropyridin-4-yl)ethane-1,2-diol
SMILESCC1C=C([C@H](O)CO)C=CN1
InChIInChI=1S/C8H13NO2/c1-6-4-7(2-3-9-6)8(11)5-10/h2-4,6,8-11H,5H2,1H3/t6?,8-/m1/s1
InChIKeyIHPTUZONWGZRIG-QFSRMBNQSA-N
XLogP-0.23
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Hydroxymethyl)-2-methyl-4-(2-methylprop-1-enyl)-1,2-dihydropyridin-3-ol
CID 70473481
3-methyl-5,6-dihydro-1H-indole-5,6-diol
CID 130281203
5-Methyl-3-(methylamino)cyclohexa-2,4-dien-1-ol
CID 142019306
1-(3-Aminocyclohexa-1,5-dien-1-yl)ethane-1,2-diol
CID 163701779
1-[(4S)-4-(hydroxymethylamino)cyclohexa-1,5-dien-1-yl]ethanol
CID 163719227
(1S)-1-(2-amino-1,2-dihydropyridin-4-yl)ethanol
CID 86341206
(1R)-1-(2-amino-1,2-dihydropyridin-4-yl)ethanol
CID 86341207
1-(2-Methyl-1,2-dihydropyridin-5-yl)ethanol
CID 130802511
4-(Ethenylamino)-2-methylcyclohepta-2,4-dien-1-ol
CID 143530062
(3Z,5Z)-6-amino-3-(1,2-dihydropyridin-4-yl)hexa-3,5-dien-2-ol
CID 168919604

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methyl-1,2-dihydropyridin-4-yl)ethane-1,2-diol?
The IUPAC name of (1S)-1-(2-methyl-1,2-dihydropyridin-4-yl)ethane-1,2-diol (CID 147918854) is (1S)-1-(2-methyl-1,2-dihydropyridin-4-yl)ethane-1,2-diol.
What is the SMILES notation for (1S)-1-(2-methyl-1,2-dihydropyridin-4-yl)ethane-1,2-diol?
The canonical SMILES for (1S)-1-(2-methyl-1,2-dihydropyridin-4-yl)ethane-1,2-diol is CC1C=C([C@H](O)CO)C=CN1.
What is the InChIKey of (1S)-1-(2-methyl-1,2-dihydropyridin-4-yl)ethane-1,2-diol?
The InChIKey is IHPTUZONWGZRIG-QFSRMBNQSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6-4-7(2-3-9-6)8(11)5-10/h2-4,6,8-11H,5H2,1H3/t6?,8-/m1/s1.
What are the key properties of (1S)-1-(2-methyl-1,2-dihydropyridin-4-yl)ethane-1,2-diol?
(1S)-1-(2-methyl-1,2-dihydropyridin-4-yl)ethane-1,2-diol has a molecular weight of 155.20 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methyl-1,2-dihydropyridin-4-yl)ethane-1,2-diol is sourced from PubChem (CID 147918854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).