methyl 5-methoxy-6-methylpyridine-3-carboxylate

C9H11NO3 — CID 119135682

IUPACmethyl 5-methoxy-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C)c(OC)c1
InChIInChI=1S/C9H11NO3/c1-6-8(12-2)4-7(5-10-6)9(11)13-3/h4-5H,1-3H3
InChIKeyWISKZVWIJHWQNS-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.19
Rot. Bonds2

About methyl 5-methoxy-6-methylpyridine-3-carboxylate

methyl 5-methoxy-6-methylpyridine-3-carboxylate (PubChem CID 119135682) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 5-methoxy-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-6-methylpyridine-3-carboxylate
PubChem CID119135682
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namemethyl 5-methoxy-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C)c(OC)c1
InChIInChI=1S/C9H11NO3/c1-6-8(12-2)4-7(5-10-6)9(11)13-3/h4-5H,1-3H3
InChIKeyWISKZVWIJHWQNS-UHFFFAOYSA-N
XLogP1.19
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-6-methylpyridine-3-carboxylate?
The IUPAC name of methyl 5-methoxy-6-methylpyridine-3-carboxylate (CID 119135682) is methyl 5-methoxy-6-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 5-methoxy-6-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 5-methoxy-6-methylpyridine-3-carboxylate is COC(=O)c1cnc(C)c(OC)c1.
What is the InChIKey of methyl 5-methoxy-6-methylpyridine-3-carboxylate?
The InChIKey is WISKZVWIJHWQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-8(12-2)4-7(5-10-6)9(11)13-3/h4-5H,1-3H3.
What are the key properties of methyl 5-methoxy-6-methylpyridine-3-carboxylate?
methyl 5-methoxy-6-methylpyridine-3-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 119135682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).