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

C10H17ClN2O3 — CID 171207938

IUPAC4-[(1R)-1-amino-3-hydroxypropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
SMILESCc1ncc(CO)c([C@H](N)CCO)c1O.Cl
InChIInChI=1S/C10H16N2O3.ClH/c1-6-10(15)9(8(11)2-3-13)7(5-14)4-12-6;/h4,8,13-15H,2-3,5,11H2,1H3;1H/t8-;/m1./s1
InChIKeyWYAUABFABOQTNS-DDWIOCJRSA-N
MW248.71 g/mol
LogP0.39
Rot. Bonds4

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

4-[(1R)-1-amino-3-hydroxypropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride (PubChem CID 171207938) has the molecular formula C10H17ClN2O3 and a molecular weight of 248.71 g/mol. Its IUPAC name is 4-[(1R)-1-amino-3-hydroxypropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-amino-3-hydroxypropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
PubChem CID171207938
Molecular FormulaC10H17ClN2O3
Molecular Weight248.71 g/mol
Exact Mass248.09
IUPAC Name4-[(1R)-1-amino-3-hydroxypropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
SMILESCc1ncc(CO)c([C@H](N)CCO)c1O.Cl
InChIInChI=1S/C10H16N2O3.ClH/c1-6-10(15)9(8(11)2-3-13)7(5-14)4-12-6;/h4,8,13-15H,2-3,5,11H2,1H3;1H/t8-;/m1./s1
InChIKeyWYAUABFABOQTNS-DDWIOCJRSA-N
XLogP0.39
TPSA99.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1S)-1-amino-3-fluoropropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171227493
4-[(1S)-1,2-diaminoethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 131104221
(3R)-3-amino-3-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]propanenitrile;hydrochloride
CID 171260495
4-[(1R)-1-amino-2-cyclopropylethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 171207906
4-[(1R)-1-aminoprop-2-enyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171207895
4-[(1R)-1-amino-2,2,2-trifluoroethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171242306
4-[amino(hydroxysulfanyl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 143542315
4-[(1R)-1-amino-2,2-dimethylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 131472336
5-(hydroxymethyl)-4-[hydroxy(sulfanyl)methyl]-2-methylpyridin-3-ol
CID 57165678
4-[hydroxy(hydroxysulfanyl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 130284147
5-(hydroxymethyl)-4-(1-hydroxynonadecyl)-2-methylpyridin-3-ol
CID 175117629
ethyl (3S)-3-amino-2-fluoro-3-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]propanoate
CID 171249044

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-3-hydroxypropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
The IUPAC name of 4-[(1R)-1-amino-3-hydroxypropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride (CID 171207938) is 4-[(1R)-1-amino-3-hydroxypropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-amino-3-hydroxypropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-amino-3-hydroxypropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride is Cc1ncc(CO)c([C@H](N)CCO)c1O.Cl.
What is the InChIKey of 4-[(1R)-1-amino-3-hydroxypropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
The InChIKey is WYAUABFABOQTNS-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H16N2O3.ClH/c1-6-10(15)9(8(11)2-3-13)7(5-14)4-12-6;/h4,8,13-15H,2-3,5,11H2,1H3;1H/t8-;/m1./s1.
What are the key properties of 4-[(1R)-1-amino-3-hydroxypropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
4-[(1R)-1-amino-3-hydroxypropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride has a molecular weight of 248.71 g/mol, XLogP of 0.39, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-3-hydroxypropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride is sourced from PubChem (CID 171207938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).