methyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate

C9H11NO3 — CID 57017613

IUPACmethyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate
SMILESCOC(=O)C(O)c1cccnc1C
InChIInChI=1S/C9H11NO3/c1-6-7(4-3-5-10-6)8(11)9(12)13-2/h3-5,8,11H,1-2H3
InChIKeyBXABTNSLHSYUBM-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.60
Rot. Bonds2

About methyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate

methyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate (PubChem CID 57017613) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate
PubChem CID57017613
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namemethyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate
SMILESCOC(=O)C(O)c1cccnc1C
InChIInChI=1S/C9H11NO3/c1-6-7(4-3-5-10-6)8(11)9(12)13-2/h3-5,8,11H,1-2H3
InChIKeyBXABTNSLHSYUBM-UHFFFAOYSA-N
XLogP0.60
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-2-quinolin-8-ylacetate
CID 63968731
2-[hydroxy-(2-methyl-3-pyridinyl)methyl]prop-2-enoic acid
CID 118072042
2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid
CID 170823469
ethyl (2R,3R)-2-amino-3-hydroxy-3-(2-methyl-3-pyridinyl)propanoate
CID 125458214
(1R)-2-amino-1-(2-methyl-3-pyridinyl)ethanol
CID 96635768
ethyl 2-chloro-2-(2-methyl-3-pyridinyl)acetate
CID 142676522
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate
CID 134694409
methyl 2-(3-chloro-2-methylphenyl)-2-hydroxyacetate
CID 117305843
methyl 2-(1,3-benzothiazol-4-yl)-2-hydroxyacetate
CID 117319556
methyl 2-amino-2-(2-chloro-3-pyridinyl)acetate
CID 130059341
(1S)-1-(2-methyl-3-pyridinyl)ethanamine
CID 94864826

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate (CID 57017613) is methyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate is COC(=O)C(O)c1cccnc1C.
What is the InChIKey of methyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate?
The InChIKey is BXABTNSLHSYUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-7(4-3-5-10-6)8(11)9(12)13-2/h3-5,8,11H,1-2H3.
What are the key properties of methyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate?
methyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate has a molecular weight of 181.19 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate is sourced from PubChem (CID 57017613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).