ethane;methyl 3-methylpyridine-2-carboxylate

C10H15NO2 — CID 166536861

IUPACethane;methyl 3-methylpyridine-2-carboxylate
SMILESCC.COC(=O)c1ncccc1C
InChIInChI=1S/C8H9NO2.C2H6/c1-6-4-3-5-9-7(6)8(10)11-2;1-2/h3-5H,1-2H3;1-2H3
InChIKeyFTZCELCOLDWEOZ-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.20
Rot. Bonds1

About ethane;methyl 3-methylpyridine-2-carboxylate

ethane;methyl 3-methylpyridine-2-carboxylate (PubChem CID 166536861) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is ethane;methyl 3-methylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethane;methyl 3-methylpyridine-2-carboxylate
PubChem CID166536861
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameethane;methyl 3-methylpyridine-2-carboxylate
SMILESCC.COC(=O)c1ncccc1C
InChIInChI=1S/C8H9NO2.C2H6/c1-6-4-3-5-9-7(6)8(10)11-2;1-2/h3-5H,1-2H3;1-2H3
InChIKeyFTZCELCOLDWEOZ-UHFFFAOYSA-N
XLogP2.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methyl 3-aminopyridine-2-carboxylate
CID 168887245
O-methyl 3-methylpyridine-2-carbothioate
CID 139794295
methyl 3-fluoro-4-methylpyridine-2-carboxylate
CID 130618402
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427
3-methylpyridine-2-carboxylic acid;oxygen(2-);vanadium(4+)
CID 10058713
methyl 3-(4-methylbenzoyl)pyridine-2-carboxylate
CID 19700964
methyl 2-methylpyridine-3-carboxylate
CID 7015327
2-(3-methyl-2-pyridinyl)-2-oxoacetaldehyde
CID 130026238
methyl 2-hydroxy-3-[(3-methylpyridine-2-carbonyl)amino]propanoate
CID 113358708
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
N-(3-bromopropyl)-3-methylpyridine-2-carboxamide
CID 62338959
methyl 3-azidopyridine-2-carboxylate
CID 138989271

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 3-methylpyridine-2-carboxylate?
The IUPAC name of ethane;methyl 3-methylpyridine-2-carboxylate (CID 166536861) is ethane;methyl 3-methylpyridine-2-carboxylate.
What is the SMILES notation for ethane;methyl 3-methylpyridine-2-carboxylate?
The canonical SMILES for ethane;methyl 3-methylpyridine-2-carboxylate is CC.COC(=O)c1ncccc1C.
What is the InChIKey of ethane;methyl 3-methylpyridine-2-carboxylate?
The InChIKey is FTZCELCOLDWEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C2H6/c1-6-4-3-5-9-7(6)8(10)11-2;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of ethane;methyl 3-methylpyridine-2-carboxylate?
ethane;methyl 3-methylpyridine-2-carboxylate has a molecular weight of 181.23 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 3-methylpyridine-2-carboxylate is sourced from PubChem (CID 166536861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).