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

C9H12ClF3N2O2 — CID 171242306

IUPAC4-[(1R)-1-amino-2,2,2-trifluoroethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
SMILESCc1ncc(CO)c([C@@H](N)C(F)(F)F)c1O.Cl
InChIInChI=1S/C9H11F3N2O2.ClH/c1-4-7(16)6(5(3-15)2-14-4)8(13)9(10,11)12;/h2,8,15-16H,3,13H2,1H3;1H/t8-;/m1./s1
InChIKeyYPKYPWQIZHBFJX-DDWIOCJRSA-N
MW272.65 g/mol
LogP1.57
Rot. Bonds2

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

4-[(1R)-1-amino-2,2,2-trifluoroethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride (PubChem CID 171242306) has the molecular formula C9H12ClF3N2O2 and a molecular weight of 272.65 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2,2,2-trifluoroethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-amino-2,2,2-trifluoroethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
PubChem CID171242306
Molecular FormulaC9H12ClF3N2O2
Molecular Weight272.65 g/mol
Exact Mass272.05
IUPAC Name4-[(1R)-1-amino-2,2,2-trifluoroethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
SMILESCc1ncc(CO)c([C@@H](N)C(F)(F)F)c1O.Cl
InChIInChI=1S/C9H11F3N2O2.ClH/c1-4-7(16)6(5(3-15)2-14-4)8(13)9(10,11)12;/h2,8,15-16H,3,13H2,1H3;1H/t8-;/m1./s1
InChIKeyYPKYPWQIZHBFJX-DDWIOCJRSA-N
XLogP1.57
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.65
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1R)-1-amino-2,2-dimethylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 131472336
4-[(1S)-1-amino-3-fluoropropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171227493
4-[(1R)-1-amino-3-hydroxypropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171207938
4-[(1S)-1,2-diaminoethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 131104221
4-[(1R)-1-aminoprop-2-enyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171207895
4-[amino(hydroxysulfanyl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 143542315
(3R)-3-amino-3-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]propanenitrile;hydrochloride
CID 171260495
5-(hydroxymethyl)-4-[hydroxy(sulfanyl)methyl]-2-methylpyridin-3-ol
CID 57165678
ethyl (3S)-3-amino-2-fluoro-3-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]propanoate
CID 171249044
4-[(1R)-1-amino-2-cyclopropylethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 171207906
4-[hydroxy(hydroxysulfanyl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 130284147
4-(1-hydroxy-2-methoxyethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 91509235

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-2,2,2-trifluoroethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
The IUPAC name of 4-[(1R)-1-amino-2,2,2-trifluoroethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride (CID 171242306) is 4-[(1R)-1-amino-2,2,2-trifluoroethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-amino-2,2,2-trifluoroethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-amino-2,2,2-trifluoroethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride is Cc1ncc(CO)c([C@@H](N)C(F)(F)F)c1O.Cl.
What is the InChIKey of 4-[(1R)-1-amino-2,2,2-trifluoroethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
The InChIKey is YPKYPWQIZHBFJX-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H11F3N2O2.ClH/c1-4-7(16)6(5(3-15)2-14-4)8(13)9(10,11)12;/h2,8,15-16H,3,13H2,1H3;1H/t8-;/m1./s1.
What are the key properties of 4-[(1R)-1-amino-2,2,2-trifluoroethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
4-[(1R)-1-amino-2,2,2-trifluoroethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride has a molecular weight of 272.65 g/mol, XLogP of 1.57, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-2,2,2-trifluoroethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride is sourced from PubChem (CID 171242306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).