methyl 6-(hydroxymethyl)-4-methylpyridine-2-carboxylate

C9H11NO3 — CID 72942071

IUPACmethyl 6-(hydroxymethyl)-4-methylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)cc(CO)n1
InChIInChI=1S/C9H11NO3/c1-6-3-7(5-11)10-8(4-6)9(12)13-2/h3-4,11H,5H2,1-2H3
InChIKeyIZWXHNJUSVXLJH-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.67
Rot. Bonds2

About methyl 6-(hydroxymethyl)-4-methylpyridine-2-carboxylate

methyl 6-(hydroxymethyl)-4-methylpyridine-2-carboxylate (PubChem CID 72942071) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 6-(hydroxymethyl)-4-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(hydroxymethyl)-4-methylpyridine-2-carboxylate
PubChem CID72942071
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namemethyl 6-(hydroxymethyl)-4-methylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)cc(CO)n1
InChIInChI=1S/C9H11NO3/c1-6-3-7(5-11)10-8(4-6)9(12)13-2/h3-4,11H,5H2,1-2H3
InChIKeyIZWXHNJUSVXLJH-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

Analyze methyl 6-(hydroxymethyl)-4-methylpyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Fusaric Acid
CID 3442
2,6-Pyridinedicarboxylic acid
CID 10367
6-Methylpyridine-2-carboxylic acid
CID 70282
Diethyl dipicolinate
CID 254510
6-(Methoxycarbonyl)pyridine-2-carboxylic acid
CID 4019172
6-Methylpyridine-2,3-dicarboxylic acid
CID 542567
Dibutyl pyridine-2,6-dicarboxylate
CID 96561
Dimethyl pyridine-2,6-carboxylate
CID 79549
Methyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate
CID 3243117
4-Phenylpyridine-2,6-dicarboxylic acid
CID 12843432
Methyl quinoline-2-carboxylate
CID 421738
Ethyl 6-acetylpyridine-2-carboxylate
CID 11586434

Frequently Asked Questions

What is the IUPAC name of methyl 6-(hydroxymethyl)-4-methylpyridine-2-carboxylate?
The IUPAC name of methyl 6-(hydroxymethyl)-4-methylpyridine-2-carboxylate (CID 72942071) is methyl 6-(hydroxymethyl)-4-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(hydroxymethyl)-4-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 6-(hydroxymethyl)-4-methylpyridine-2-carboxylate is COC(=O)c1cc(C)cc(CO)n1.
What is the InChIKey of methyl 6-(hydroxymethyl)-4-methylpyridine-2-carboxylate?
The InChIKey is IZWXHNJUSVXLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-3-7(5-11)10-8(4-6)9(12)13-2/h3-4,11H,5H2,1-2H3.
What are the key properties of methyl 6-(hydroxymethyl)-4-methylpyridine-2-carboxylate?
methyl 6-(hydroxymethyl)-4-methylpyridine-2-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)-4-methylpyridine-2-carboxylate is sourced from PubChem (CID 72942071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).