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

C8H11NO2 — CID 12853358

IUPACmethyl 2-methyl-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CC=CC1C
InChIInChI=1S/C8H11NO2/c1-7-5-3-4-6-9(7)8(10)11-2/h3-7H,1-2H3
InChIKeyJCYXWJIHDFWNAR-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.53
Rot. Bonds

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

methyl 2-methyl-2H-pyridine-1-carboxylate (PubChem CID 12853358) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is methyl 2-methyl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-2H-pyridine-1-carboxylate
PubChem CID12853358
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Namemethyl 2-methyl-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CC=CC1C
InChIInChI=1S/C8H11NO2/c1-7-5-3-4-6-9(7)8(10)11-2/h3-7H,1-2H3
InChIKeyJCYXWJIHDFWNAR-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-ethyl-2H-pyridine-1-carboxylate
CID 12853359
methyl 2-(hydroxymethyl)-2H-pyridine-1-carboxylate
CID 130128914
dimethyl 3a,6a-dihydropyrrolo[3,2-b]pyrrole-1,4-dicarboxylate
CID 24978327
N,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]-2H-pyridine-1-carboxamide
CID 22507079
methyl (2R)-2-(3-acetyloxyprop-1-ynyl)-2H-pyridine-1-carboxylate
CID 102323950
tert-butyl 2-tert-butyl-2H-pyridine-1-carboxylate
CID 167590283
methyl (1R,2R,5S,6R)-2,5-dimethyl-7-azabicyclo[4.1.0]hept-3-ene-7-carboxylate
CID 98553757
2-acetyloxy-2H-pyridine-1-carboxylic acid
CID 57005111
dimethyl 2-prop-2-ynyl-2H-imidazole-1,3-dicarboxylate
CID 11117683
methyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate
CID 130738551
methyl (1R,4R,5S)-4-methyl-3-oxo-2-oxa-8-azabicyclo[3.3.1]non-6-ene-8-carboxylate
CID 11672938
1-[(2S)-2-ethyl-2H-pyridin-1-yl]ethanone
CID 102578799

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 2-methyl-2H-pyridine-1-carboxylate (CID 12853358) is methyl 2-methyl-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 2-methyl-2H-pyridine-1-carboxylate is COC(=O)N1C=CC=CC1C.
What is the InChIKey of methyl 2-methyl-2H-pyridine-1-carboxylate?
The InChIKey is JCYXWJIHDFWNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-7-5-3-4-6-9(7)8(10)11-2/h3-7H,1-2H3.
What are the key properties of methyl 2-methyl-2H-pyridine-1-carboxylate?
methyl 2-methyl-2H-pyridine-1-carboxylate has a molecular weight of 153.18 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 12853358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).