methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride

C8H10ClNO3 — CID 146049161

IUPACmethyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride
SMILESCOC(=O)[C@@H](O)c1cccnc1.Cl
InChIInChI=1S/C8H9NO3.ClH/c1-12-8(11)7(10)6-3-2-4-9-5-6;/h2-5,7,10H,1H3;1H/t7-;/m0./s1
InChIKeyAHXYZSLQVBLPED-FJXQXJEOSA-N
MW203.63 g/mol
LogP0.71
Rot. Bonds2

About methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride

methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride (PubChem CID 146049161) has the molecular formula C8H10ClNO3 and a molecular weight of 203.63 g/mol. Its IUPAC name is methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride
PubChem CID146049161
Molecular FormulaC8H10ClNO3
Molecular Weight203.63 g/mol
Exact Mass203.03
IUPAC Namemethyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride
SMILESCOC(=O)[C@@H](O)c1cccnc1.Cl
InChIInChI=1S/C8H9NO3.ClH/c1-12-8(11)7(10)6-3-2-4-9-5-6;/h2-5,7,10H,1H3;1H/t7-;/m0./s1
InChIKeyAHXYZSLQVBLPED-FJXQXJEOSA-N
XLogP0.71
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-hydroxy-1-pyridin-3-ylpropan-2-one
CID 12549519
methyl 3-oxo-2-pyridin-3-ylbutanoate
CID 54382614
methyl (2S)-3-amino-2-pyridin-3-ylpropanoate
CID 57242808
N,2-dihydroxy-2-pyridin-3-ylacetamide
CID 131036092
2-hydroxy-N,N-dimethyl-2-pyridin-3-ylacetamide
CID 83529938
methyl 2-methyl-3-[[(1R)-1-pyridin-3-ylethyl]amino]butanoate
CID 81404347
methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate
CID 60795276
sodium 2-hydroxy-2-pyridin-3-ylacetate
CID 159760700
methyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate
CID 129395618
methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
CID 130621848
methyl 2-[[(1R)-1-pyridin-3-ylethyl]amino]butanoate
CID 115353559
methyl 3-bromo-2-oxo-3-pyridin-3-ylpropanoate
CID 23590816

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride?
The IUPAC name of methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride (CID 146049161) is methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride?
The canonical SMILES for methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride is COC(=O)[C@@H](O)c1cccnc1.Cl.
What is the InChIKey of methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride?
The InChIKey is AHXYZSLQVBLPED-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H9NO3.ClH/c1-12-8(11)7(10)6-3-2-4-9-5-6;/h2-5,7,10H,1H3;1H/t7-;/m0./s1.
What are the key properties of methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride?
methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride has a molecular weight of 203.63 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride is sourced from PubChem (CID 146049161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).