methyl 6-(1-hydroxy-2-methylpropyl)pyridine-3-carboxylate

C11H15NO3 — CID 146650272

IUPACmethyl 6-(1-hydroxy-2-methylpropyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(O)C(C)C)nc1
InChIInChI=1S/C11H15NO3/c1-7(2)10(13)9-5-4-8(6-12-9)11(14)15-3/h4-7,10,13H,1-3H3
InChIKeyRQCOJXXODSQXED-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.56
Rot. Bonds3

About methyl 6-(1-hydroxy-2-methylpropyl)pyridine-3-carboxylate

methyl 6-(1-hydroxy-2-methylpropyl)pyridine-3-carboxylate (PubChem CID 146650272) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is methyl 6-(1-hydroxy-2-methylpropyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1-hydroxy-2-methylpropyl)pyridine-3-carboxylate
PubChem CID146650272
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namemethyl 6-(1-hydroxy-2-methylpropyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(O)C(C)C)nc1
InChIInChI=1S/C11H15NO3/c1-7(2)10(13)9-5-4-8(6-12-9)11(14)15-3/h4-7,10,13H,1-3H3
InChIKeyRQCOJXXODSQXED-UHFFFAOYSA-N
XLogP1.56
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 6-(1-hydroxy-2-methylpropyl)pyridine-3-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

methyl 6-(4-chloro-1,2-dihydroxybutyl)pyridine-3-carboxylate
CID 171894263
methyl 6-(dibromomethyl)pyridine-3-carboxylate;hydrochloride
CID 146048625
methyl 6-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate
CID 171885304
methyl 6-[(R)-bromo(phenyl)methyl]pyridine-3-carboxylate
CID 99864587
methyl 6-[[(2-hydroxy-3-methylbutyl)amino]methyl]pyridine-3-carboxylate
CID 113492195
methyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate
CID 10633160
methyl 6-(3-methylbutan-2-ylsulfanylmethyl)pyridine-3-carboxylate
CID 107746223
methyl 4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzoate
CID 83117275
methyl 6-(trideuteriomethyl)pyridine-3-carboxylate
CID 59327576
methyl 6-methylsulfanylpyridine-3-carboxylate
CID 901959
2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate
CID 152564133
methyl 6-(oxomethyl)pyridine-3-carboxylate;nickel;praseodymium
CID 20707169

Frequently Asked Questions

What is the IUPAC name of methyl 6-(1-hydroxy-2-methylpropyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(1-hydroxy-2-methylpropyl)pyridine-3-carboxylate (CID 146650272) is methyl 6-(1-hydroxy-2-methylpropyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(1-hydroxy-2-methylpropyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(1-hydroxy-2-methylpropyl)pyridine-3-carboxylate is COC(=O)c1ccc(C(O)C(C)C)nc1.
What is the InChIKey of methyl 6-(1-hydroxy-2-methylpropyl)pyridine-3-carboxylate?
The InChIKey is RQCOJXXODSQXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7(2)10(13)9-5-4-8(6-12-9)11(14)15-3/h4-7,10,13H,1-3H3.
What are the key properties of methyl 6-(1-hydroxy-2-methylpropyl)pyridine-3-carboxylate?
methyl 6-(1-hydroxy-2-methylpropyl)pyridine-3-carboxylate has a molecular weight of 209.24 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1-hydroxy-2-methylpropyl)pyridine-3-carboxylate is sourced from PubChem (CID 146650272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).