methyl 4-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate

C11H13NO6 — CID 171864522

IUPACmethyl 4-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C(O)C(O)C(=O)OC)ccn1
InChIInChI=1S/C11H13NO6/c1-17-10(15)7-5-6(3-4-12-7)8(13)9(14)11(16)18-2/h3-5,8-9,13-14H,1-2H3
InChIKeyABQPXMUQBHFWET-UHFFFAOYSA-N
MW255.23 g/mol
LogP-0.56
Rot. Bonds4

About methyl 4-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate

methyl 4-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate (PubChem CID 171864522) has the molecular formula C11H13NO6 and a molecular weight of 255.23 g/mol. Its IUPAC name is methyl 4-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate
PubChem CID171864522
Molecular FormulaC11H13NO6
Molecular Weight255.23 g/mol
Exact Mass255.07
IUPAC Namemethyl 4-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C(O)C(O)C(=O)OC)ccn1
InChIInChI=1S/C11H13NO6/c1-17-10(15)7-5-6(3-4-12-7)8(13)9(14)11(16)18-2/h3-5,8-9,13-14H,1-2H3
InChIKeyABQPXMUQBHFWET-UHFFFAOYSA-N
XLogP-0.56
TPSA105.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-(4-acetamido-1,2-dihydroxybutyl)pyridine-2-carboxylate
CID 171883516
methyl 5-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyrimidine-2-carboxylate
CID 171864430
methyl 4-aminopyridine-2-carboxylate
CID 3759117
methyl 4-methylpyridine-2-carboxylate
CID 10920693
methyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate
CID 171864271
ethene;methyl 4-aminopyridine-2-carboxylate
CID 177218086
methyl 3-(4-amino-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171863533
disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride
CID 172849137
methyl 2,3-dihydroxy-3-(3-hydroxyphenyl)propanoate
CID 171863514
methyl 3-(3,4-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863651
methyl 3-(4-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171863547
methyl 4-pyridin-4-ylpyridine-2-carboxylate
CID 46317488

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate (CID 171864522) is methyl 4-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate is COC(=O)c1cc(C(O)C(O)C(=O)OC)ccn1.
What is the InChIKey of methyl 4-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate?
The InChIKey is ABQPXMUQBHFWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO6/c1-17-10(15)7-5-6(3-4-12-7)8(13)9(14)11(16)18-2/h3-5,8-9,13-14H,1-2H3.
What are the key properties of methyl 4-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate?
methyl 4-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate has a molecular weight of 255.23 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate is sourced from PubChem (CID 171864522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).