(1S)-1-(2-amino-1,2-dihydropyridin-4-yl)ethanol

C7H12N2O — CID 86341206

IUPAC(1S)-1-(2-amino-1,2-dihydropyridin-4-yl)ethanol
SMILESC[C@H](O)C1=CC(N)NC=C1
InChIInChI=1S/C7H12N2O/c1-5(10)6-2-3-9-7(8)4-6/h2-5,7,9-10H,8H2,1H3/t5-,7?/m0/s1
InChIKeyOZGOOEYQFDAWDX-DSEUIKHZSA-N
MW140.19 g/mol
LogP-0.30
Rot. Bonds1

About (1S)-1-(2-amino-1,2-dihydropyridin-4-yl)ethanol

(1S)-1-(2-amino-1,2-dihydropyridin-4-yl)ethanol (PubChem CID 86341206) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (1S)-1-(2-amino-1,2-dihydropyridin-4-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(2-amino-1,2-dihydropyridin-4-yl)ethanol
PubChem CID86341206
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(1S)-1-(2-amino-1,2-dihydropyridin-4-yl)ethanol
SMILESC[C@H](O)C1=CC(N)NC=C1
InChIInChI=1S/C7H12N2O/c1-5(10)6-2-3-9-7(8)4-6/h2-5,7,9-10H,8H2,1H3/t5-,7?/m0/s1
InChIKeyOZGOOEYQFDAWDX-DSEUIKHZSA-N
XLogP-0.30
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-Fluoro-1,2-dihydropyridin-5-yl)ethanol
CID 164107450
1-(1,2-Dihydropyridin-4-yl)-2,2,2-trifluoroethanol
CID 162586388
1,2-Dihydropyridin-4-ylmethanol
CID 426212
1,2-Dihydropyridin-5-ylmethanol
CID 19045944
1-(1H-azepin-3-yl)ethanol
CID 22019434
1-(1H-azepin-4-yl)ethanol
CID 89156860
1-(2-amino-1H-pyridin-4-ylidene)butan-2-ol
CID 90703707
4-(Methylamino)cyclohexa-2,4-dien-1-ol
CID 137506891
5-Azatricyclo[9.4.0.03,8]pentadeca-1,3(8),6,10,12,14-hexaen-9-ol
CID 141851696
1-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanol
CID 143164926
5-Ethyl-1,2-dihydropyridin-2-ol
CID 143686900
(1S)-1-(2-methyl-1,2-dihydropyridin-4-yl)ethane-1,2-diol
CID 147918854

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-amino-1,2-dihydropyridin-4-yl)ethanol?
The IUPAC name of (1S)-1-(2-amino-1,2-dihydropyridin-4-yl)ethanol (CID 86341206) is (1S)-1-(2-amino-1,2-dihydropyridin-4-yl)ethanol.
What is the SMILES notation for (1S)-1-(2-amino-1,2-dihydropyridin-4-yl)ethanol?
The canonical SMILES for (1S)-1-(2-amino-1,2-dihydropyridin-4-yl)ethanol is C[C@H](O)C1=CC(N)NC=C1.
What is the InChIKey of (1S)-1-(2-amino-1,2-dihydropyridin-4-yl)ethanol?
The InChIKey is OZGOOEYQFDAWDX-DSEUIKHZSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5(10)6-2-3-9-7(8)4-6/h2-5,7,9-10H,8H2,1H3/t5-,7?/m0/s1.
What are the key properties of (1S)-1-(2-amino-1,2-dihydropyridin-4-yl)ethanol?
(1S)-1-(2-amino-1,2-dihydropyridin-4-yl)ethanol has a molecular weight of 140.19 g/mol, XLogP of -0.30, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-amino-1,2-dihydropyridin-4-yl)ethanol is sourced from PubChem (CID 86341206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).