2-[(1S)-1-aminoprop-2-enyl]-6-(hydroxymethyl)pyridin-3-ol

C9H12N2O2 — CID 130639488

IUPAC2-[(1S)-1-aminoprop-2-enyl]-6-(hydroxymethyl)pyridin-3-ol
SMILESC=C[C@H](N)c1nc(CO)ccc1O
InChIInChI=1S/C9H12N2O2/c1-2-7(10)9-8(13)4-3-6(5-12)11-9/h2-4,7,12-13H,1,5,10H2/t7-/m0/s1
InChIKeyNBDCQHSJRKFVKB-ZETCQYMHSA-N
MW180.21 g/mol
LogP0.47
Rot. Bonds3

About 2-[(1S)-1-aminoprop-2-enyl]-6-(hydroxymethyl)pyridin-3-ol

2-[(1S)-1-aminoprop-2-enyl]-6-(hydroxymethyl)pyridin-3-ol (PubChem CID 130639488) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-[(1S)-1-aminoprop-2-enyl]-6-(hydroxymethyl)pyridin-3-ol.

Molecular Properties

Compound Name2-[(1S)-1-aminoprop-2-enyl]-6-(hydroxymethyl)pyridin-3-ol
PubChem CID130639488
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-[(1S)-1-aminoprop-2-enyl]-6-(hydroxymethyl)pyridin-3-ol
SMILESC=C[C@H](N)c1nc(CO)ccc1O
InChIInChI=1S/C9H12N2O2/c1-2-7(10)9-8(13)4-3-6(5-12)11-9/h2-4,7,12-13H,1,5,10H2/t7-/m0/s1
InChIKeyNBDCQHSJRKFVKB-ZETCQYMHSA-N
XLogP0.47
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-ethenyl-6-(hydroxymethyl)pyridin-3-ol
CID 118097163
2-[(1S)-1-aminoprop-2-enyl]-3-(hydroxymethyl)phenol
CID 130741330
4-[(1S)-1-aminoprop-2-enyl]benzene-1,2-diol
CID 130618463
2-[(1R)-1-aminoprop-2-enyl]phenol
CID 55278919
[6-(1-aminoprop-2-enyl)-3-pyridinyl]methanol
CID 130042114
(5-ethenyl-6-fluoro-2-pyridinyl)methanol
CID 74892678
[2-(1-aminoprop-2-enyl)-3-methylphenyl]methanol
CID 130042268
[2-(1-aminoprop-2-enyl)-4-pyridinyl]methanol
CID 55292388
3-[(1S)-1-aminoprop-2-enyl]benzene-1,2-diol
CID 130642432
4-[(1S)-1-aminoprop-2-enyl]-2-chlorophenol;hydrochloride
CID 171221995
4-[(1R)-1-aminoprop-2-enyl]-2-chlorophenol;hydrochloride
CID 171202442
2-[(1S)-1-aminoprop-2-enyl]-4-nitrophenol
CID 130614433

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoprop-2-enyl]-6-(hydroxymethyl)pyridin-3-ol?
The IUPAC name of 2-[(1S)-1-aminoprop-2-enyl]-6-(hydroxymethyl)pyridin-3-ol (CID 130639488) is 2-[(1S)-1-aminoprop-2-enyl]-6-(hydroxymethyl)pyridin-3-ol.
What is the SMILES notation for 2-[(1S)-1-aminoprop-2-enyl]-6-(hydroxymethyl)pyridin-3-ol?
The canonical SMILES for 2-[(1S)-1-aminoprop-2-enyl]-6-(hydroxymethyl)pyridin-3-ol is C=C[C@H](N)c1nc(CO)ccc1O.
What is the InChIKey of 2-[(1S)-1-aminoprop-2-enyl]-6-(hydroxymethyl)pyridin-3-ol?
The InChIKey is NBDCQHSJRKFVKB-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-7(10)9-8(13)4-3-6(5-12)11-9/h2-4,7,12-13H,1,5,10H2/t7-/m0/s1.
What are the key properties of 2-[(1S)-1-aminoprop-2-enyl]-6-(hydroxymethyl)pyridin-3-ol?
2-[(1S)-1-aminoprop-2-enyl]-6-(hydroxymethyl)pyridin-3-ol has a molecular weight of 180.21 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminoprop-2-enyl]-6-(hydroxymethyl)pyridin-3-ol is sourced from PubChem (CID 130639488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).