1-pyridin-2-ylpropane-1,1-diol

C8H11NO2 — CID 18373059

IUPAC1-pyridin-2-ylpropane-1,1-diol
SMILESCCC(O)(O)c1ccccn1
InChIInChI=1S/C8H11NO2/c1-2-8(10,11)7-5-3-4-6-9-7/h3-6,10-11H,2H2,1H3
InChIKeyLLTJGWVOZAZTTI-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.63
Rot. Bonds2

About 1-pyridin-2-ylpropane-1,1-diol

1-pyridin-2-ylpropane-1,1-diol (PubChem CID 18373059) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-pyridin-2-ylpropane-1,1-diol.

Molecular Properties

Compound Name1-pyridin-2-ylpropane-1,1-diol
PubChem CID18373059
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-pyridin-2-ylpropane-1,1-diol
SMILESCCC(O)(O)c1ccccn1
InChIInChI=1S/C8H11NO2/c1-2-8(10,11)7-5-3-4-6-9-7/h3-6,10-11H,2H2,1H3
InChIKeyLLTJGWVOZAZTTI-UHFFFAOYSA-N
XLogP0.63
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-phenyl-1-pyridin-2-ylpropan-1-ol
CID 12522815
2-(1,1-difluoropropyl)pyridine
CID 59088790
3-pyridin-2-ylpent-1-en-3-ol
CID 146396934
3-pyridin-2-ylpent-1-yn-3-ol
CID 168787890
5-methyl-3-pyridin-2-ylhexan-3-ol
CID 146396813
CID 162723245
CID 162723245
3-methyl-3-pyridin-2-ylpentan-1-ol
CID 144773779
6-pyridin-2-ylundecan-6-ol
CID 21415651
dichloro(pyridin-2-yl)methanol;zirconium
CID 174374690
2-(2-ethoxybutan-2-yl)pyridine
CID 146396878
(3,5-diethyl-4-phosphono-3,5-dipyridin-2-ylheptan-4-yl)phosphonic acid
CID 175964809
ethanol;pyridin-2-amine
CID 69424063

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylpropane-1,1-diol?
The IUPAC name of 1-pyridin-2-ylpropane-1,1-diol (CID 18373059) is 1-pyridin-2-ylpropane-1,1-diol.
What is the SMILES notation for 1-pyridin-2-ylpropane-1,1-diol?
The canonical SMILES for 1-pyridin-2-ylpropane-1,1-diol is CCC(O)(O)c1ccccn1.
What is the InChIKey of 1-pyridin-2-ylpropane-1,1-diol?
The InChIKey is LLTJGWVOZAZTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-8(10,11)7-5-3-4-6-9-7/h3-6,10-11H,2H2,1H3.
What are the key properties of 1-pyridin-2-ylpropane-1,1-diol?
1-pyridin-2-ylpropane-1,1-diol has a molecular weight of 153.18 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylpropane-1,1-diol is sourced from PubChem (CID 18373059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).