methyl 1,2-dimethylpyridine-2-carboxylate

C9H13NO2 — CID 121354109

IUPACmethyl 1,2-dimethylpyridine-2-carboxylate
SMILESCOC(=O)C1(C)C=CC=CN1C
InChIInChI=1S/C9H13NO2/c1-9(8(11)12-3)6-4-5-7-10(9)2/h4-7H,1-3H3
InChIKeyRDWBUIDRLFRPHF-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.93
Rot. Bonds1

About methyl 1,2-dimethylpyridine-2-carboxylate

methyl 1,2-dimethylpyridine-2-carboxylate (PubChem CID 121354109) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is methyl 1,2-dimethylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1,2-dimethylpyridine-2-carboxylate
PubChem CID121354109
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Namemethyl 1,2-dimethylpyridine-2-carboxylate
SMILESCOC(=O)C1(C)C=CC=CN1C
InChIInChI=1S/C9H13NO2/c1-9(8(11)12-3)6-4-5-7-10(9)2/h4-7H,1-3H3
InChIKeyRDWBUIDRLFRPHF-UHFFFAOYSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1,2-dimethylpyridine-2-carboxylate?
The IUPAC name of methyl 1,2-dimethylpyridine-2-carboxylate (CID 121354109) is methyl 1,2-dimethylpyridine-2-carboxylate.
What is the SMILES notation for methyl 1,2-dimethylpyridine-2-carboxylate?
The canonical SMILES for methyl 1,2-dimethylpyridine-2-carboxylate is COC(=O)C1(C)C=CC=CN1C.
What is the InChIKey of methyl 1,2-dimethylpyridine-2-carboxylate?
The InChIKey is RDWBUIDRLFRPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-9(8(11)12-3)6-4-5-7-10(9)2/h4-7H,1-3H3.
What are the key properties of methyl 1,2-dimethylpyridine-2-carboxylate?
methyl 1,2-dimethylpyridine-2-carboxylate has a molecular weight of 167.21 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2-dimethylpyridine-2-carboxylate is sourced from PubChem (CID 121354109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).