methyl 4-methylpyridine-2-carboxylate

C8H9NO2 — CID 10920693

IUPACmethyl 4-methylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)ccn1
InChIInChI=1S/C8H9NO2/c1-6-3-4-9-7(5-6)8(10)11-2/h3-5H,1-2H3
InChIKeyQHZGJQWANGVCLB-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.18
Rot. Bonds1

About methyl 4-methylpyridine-2-carboxylate

methyl 4-methylpyridine-2-carboxylate (PubChem CID 10920693) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is methyl 4-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methylpyridine-2-carboxylate
PubChem CID10920693
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Namemethyl 4-methylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)ccn1
InChIInChI=1S/C8H9NO2/c1-6-3-4-9-7(5-6)8(10)11-2/h3-5H,1-2H3
InChIKeyQHZGJQWANGVCLB-UHFFFAOYSA-N
XLogP1.18
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ethene;methyl 4-aminopyridine-2-carboxylate
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methyl 4-dimethylphosphorylpyridine-2-carboxylate
CID 155970992
methyl 4-(4-phenylphenyl)pyridine-2-carboxylate
CID 70853401
methyl 4-(sulfinylamino)pyridine-2-carboxylate
CID 129321367
methyl 4-(4-fluorophenyl)pyridine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 4-methylpyridine-2-carboxylate?
The IUPAC name of methyl 4-methylpyridine-2-carboxylate (CID 10920693) is methyl 4-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-methylpyridine-2-carboxylate is COC(=O)c1cc(C)ccn1.
What is the InChIKey of methyl 4-methylpyridine-2-carboxylate?
The InChIKey is QHZGJQWANGVCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6-3-4-9-7(5-6)8(10)11-2/h3-5H,1-2H3.
What are the key properties of methyl 4-methylpyridine-2-carboxylate?
methyl 4-methylpyridine-2-carboxylate has a molecular weight of 151.16 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methylpyridine-2-carboxylate is sourced from PubChem (CID 10920693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).