methyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate

C9H11NO3 — CID 127263097

IUPACmethyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(CO)c(C)c1
InChIInChI=1S/C9H11NO3/c1-6-3-7(9(12)13-2)4-10-8(6)5-11/h3-4,11H,5H2,1-2H3
InChIKeyANLXJYYNLCGODY-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.67
Rot. Bonds2

About methyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate

methyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate (PubChem CID 127263097) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate
PubChem CID127263097
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namemethyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(CO)c(C)c1
InChIInChI=1S/C9H11NO3/c1-6-3-7(9(12)13-2)4-10-8(6)5-11/h3-4,11H,5H2,1-2H3
InChIKeyANLXJYYNLCGODY-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-bromo-6-(hydroxymethyl)pyridine-3-carboxylate
CID 134206230
ethane;methyl 6-chloro-5-methylpyridine-3-carboxylate
CID 170617619
dimethyl 8-methylquinoline-3,6-dicarboxylate
CID 164676656
methyl 5-methyl-6-methylsulfanylpyridine-3-carboxylate
CID 102544528
methyl 6-(dipropylamino)-5-methylpyridine-3-carboxylate
CID 102544682
dimethyl 2-(cyanomethyl)pyridine-3,5-dicarboxylate
CID 155921153
methyl 6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylate
CID 134664019
6-(hydroxymethyl)-5-methylpyridin-3-ol;rhodium
CID 58047449
methyl 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 142212585
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
ethane;methyl 5-cyano-6-methylpyridine-3-carboxylate
CID 164905739
methyl 5-cyano-6-iodopyridine-3-carboxylate
CID 164905377

Frequently Asked Questions

What is the IUPAC name of methyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate (CID 127263097) is methyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate is COC(=O)c1cnc(CO)c(C)c1.
What is the InChIKey of methyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate?
The InChIKey is ANLXJYYNLCGODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-3-7(9(12)13-2)4-10-8(6)5-11/h3-4,11H,5H2,1-2H3.
What are the key properties of methyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate?
methyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate is sourced from PubChem (CID 127263097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).