ethane;methyl 3-ethoxy-6-methylpyridine-2-carboxylate

C12H19NO3 — CID 142291812

IUPACethane;methyl 3-ethoxy-6-methylpyridine-2-carboxylate
SMILESCC.CCOc1ccc(C)nc1C(=O)OC
InChIInChI=1S/C10H13NO3.C2H6/c1-4-14-8-6-5-7(2)11-9(8)10(12)13-3;1-2/h5-6H,4H2,1-3H3;1-2H3
InChIKeyLHENIDIHFLSUMN-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.60
Rot. Bonds3

About ethane;methyl 3-ethoxy-6-methylpyridine-2-carboxylate

ethane;methyl 3-ethoxy-6-methylpyridine-2-carboxylate (PubChem CID 142291812) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethane;methyl 3-ethoxy-6-methylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethane;methyl 3-ethoxy-6-methylpyridine-2-carboxylate
PubChem CID142291812
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nameethane;methyl 3-ethoxy-6-methylpyridine-2-carboxylate
SMILESCC.CCOc1ccc(C)nc1C(=O)OC
InChIInChI=1S/C10H13NO3.C2H6/c1-4-14-8-6-5-7(2)11-9(8)10(12)13-3;1-2/h5-6H,4H2,1-3H3;1-2H3
InChIKeyLHENIDIHFLSUMN-UHFFFAOYSA-N
XLogP2.60
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl 3-ethoxy-6-methylpyridine-2-carboxylate?
The IUPAC name of ethane;methyl 3-ethoxy-6-methylpyridine-2-carboxylate (CID 142291812) is ethane;methyl 3-ethoxy-6-methylpyridine-2-carboxylate.
What is the SMILES notation for ethane;methyl 3-ethoxy-6-methylpyridine-2-carboxylate?
The canonical SMILES for ethane;methyl 3-ethoxy-6-methylpyridine-2-carboxylate is CC.CCOc1ccc(C)nc1C(=O)OC.
What is the InChIKey of ethane;methyl 3-ethoxy-6-methylpyridine-2-carboxylate?
The InChIKey is LHENIDIHFLSUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3.C2H6/c1-4-14-8-6-5-7(2)11-9(8)10(12)13-3;1-2/h5-6H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;methyl 3-ethoxy-6-methylpyridine-2-carboxylate?
ethane;methyl 3-ethoxy-6-methylpyridine-2-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 3-ethoxy-6-methylpyridine-2-carboxylate is sourced from PubChem (CID 142291812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).