ethyl 1-methyl-2H-pyridine-2-carboxylate

C9H13NO2 — CID 163421057

IUPACethyl 1-methyl-2H-pyridine-2-carboxylate
SMILESCCOC(=O)C1C=CC=CN1C
InChIInChI=1S/C9H13NO2/c1-3-12-9(11)8-6-4-5-7-10(8)2/h4-8H,3H2,1-2H3
InChIKeyAIMNSLQCUCWIDO-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.93
Rot. Bonds2

About ethyl 1-methyl-2H-pyridine-2-carboxylate

ethyl 1-methyl-2H-pyridine-2-carboxylate (PubChem CID 163421057) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is ethyl 1-methyl-2H-pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-2H-pyridine-2-carboxylate
PubChem CID163421057
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Nameethyl 1-methyl-2H-pyridine-2-carboxylate
SMILESCCOC(=O)C1C=CC=CN1C
InChIInChI=1S/C9H13NO2/c1-3-12-9(11)8-6-4-5-7-10(8)2/h4-8H,3H2,1-2H3
InChIKeyAIMNSLQCUCWIDO-UHFFFAOYSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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

Analyze ethyl 1-methyl-2H-pyridine-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

1-methyl-2H-pyridine-2-carboxylic acid
CID 426443
methyl N-methylpicolinate
CID 129791326
1-Methyl-2,3-dihydropyridin-3-ylium-2-carboxylate
CID 129850582
methyl (2S)-2-(acetyloxymethyl)-2H-pyridine-1-carboxylate
CID 11321791
methyl 1-methyl-6-(trifluoromethyl)-2H-pyridine-2-carboxylate
CID 162598325
Methyl 1,2-dihydropyridine-2-carboxylate
CID 17887853
Ethyl 4-methyl-1,2-dihydropyridine-2-carboxylate
CID 18707191
2-(Dimethylamino)ethyl 1,2-dihydropyridine-2-carboxylate
CID 18707366
1,2-Dihydropyridin-2-ylmethyl acetate
CID 19041004
ethyl 2-methyl-1H-pyridine-2-carboxylate
CID 21219562
Methyl 1-ethyl-1,2,5,6-tetrahydropyridinecarboxylate
CID 21849994
Ethyl 1,2-dihydropyridine-2-carboxylate
CID 22741614

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-2H-pyridine-2-carboxylate?
The IUPAC name of ethyl 1-methyl-2H-pyridine-2-carboxylate (CID 163421057) is ethyl 1-methyl-2H-pyridine-2-carboxylate.
What is the SMILES notation for ethyl 1-methyl-2H-pyridine-2-carboxylate?
The canonical SMILES for ethyl 1-methyl-2H-pyridine-2-carboxylate is CCOC(=O)C1C=CC=CN1C.
What is the InChIKey of ethyl 1-methyl-2H-pyridine-2-carboxylate?
The InChIKey is AIMNSLQCUCWIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-12-9(11)8-6-4-5-7-10(8)2/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 1-methyl-2H-pyridine-2-carboxylate?
ethyl 1-methyl-2H-pyridine-2-carboxylate has a molecular weight of 167.21 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-2H-pyridine-2-carboxylate is sourced from PubChem (CID 163421057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).