4-[(1R)-1-aminoprop-2-enyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride

C10H15ClN2O2 — CID 171207895

IUPAC4-[(1R)-1-aminoprop-2-enyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
SMILESC=C[C@@H](N)c1c(CO)cnc(C)c1O.Cl
InChIInChI=1S/C10H14N2O2.ClH/c1-3-8(11)9-7(5-13)4-12-6(2)10(9)14;/h3-4,8,13-14H,1,5,11H2,2H3;1H/t8-;/m1./s1
InChIKeyCTADKFOZTIKWSD-DDWIOCJRSA-N
MW230.69 g/mol
LogP1.20
Rot. Bonds3

About 4-[(1R)-1-aminoprop-2-enyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride

4-[(1R)-1-aminoprop-2-enyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride (PubChem CID 171207895) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 4-[(1R)-1-aminoprop-2-enyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-aminoprop-2-enyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
PubChem CID171207895
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name4-[(1R)-1-aminoprop-2-enyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
SMILESC=C[C@@H](N)c1c(CO)cnc(C)c1O.Cl
InChIInChI=1S/C10H14N2O2.ClH/c1-3-8(11)9-7(5-13)4-12-6(2)10(9)14;/h3-4,8,13-14H,1,5,11H2,2H3;1H/t8-;/m1./s1
InChIKeyCTADKFOZTIKWSD-DDWIOCJRSA-N
XLogP1.20
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoprop-2-enyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
The IUPAC name of 4-[(1R)-1-aminoprop-2-enyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride (CID 171207895) is 4-[(1R)-1-aminoprop-2-enyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-aminoprop-2-enyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-aminoprop-2-enyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride is C=C[C@@H](N)c1c(CO)cnc(C)c1O.Cl.
What is the InChIKey of 4-[(1R)-1-aminoprop-2-enyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
The InChIKey is CTADKFOZTIKWSD-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H14N2O2.ClH/c1-3-8(11)9-7(5-13)4-12-6(2)10(9)14;/h3-4,8,13-14H,1,5,11H2,2H3;1H/t8-;/m1./s1.
What are the key properties of 4-[(1R)-1-aminoprop-2-enyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
4-[(1R)-1-aminoprop-2-enyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride has a molecular weight of 230.69 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoprop-2-enyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride is sourced from PubChem (CID 171207895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).