ethyl 2-formyl-6-methylpyridine-3-carboxylate

C10H11NO3 — CID 112757143

IUPACethyl 2-formyl-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C)nc1C=O
InChIInChI=1S/C10H11NO3/c1-3-14-10(13)8-5-4-7(2)11-9(8)6-12/h4-6H,3H2,1-2H3
InChIKeyPDMMGZQGJGYPJQ-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.38
Rot. Bonds3

About ethyl 2-formyl-6-methylpyridine-3-carboxylate

ethyl 2-formyl-6-methylpyridine-3-carboxylate (PubChem CID 112757143) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is ethyl 2-formyl-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-formyl-6-methylpyridine-3-carboxylate
PubChem CID112757143
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Nameethyl 2-formyl-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C)nc1C=O
InChIInChI=1S/C10H11NO3/c1-3-14-10(13)8-5-4-7(2)11-9(8)6-12/h4-6H,3H2,1-2H3
InChIKeyPDMMGZQGJGYPJQ-UHFFFAOYSA-N
XLogP1.38
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-acetamido-6-methylpyridine-3-carboxylate
CID 12910047
ethyl 2-formyl-3,4-dimethylbenzoate
CID 171024989
ethyl 2-(3,3-dimethylbutylamino)-6-methylpyridine-3-carboxylate
CID 67273917
ethyl 2,6-diaminopyridine-3-carboxylate
CID 58784252
methyl 6-bromo-2-formylpyridine-3-carboxylate
CID 112757160
methyl 2-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-methylpyridine-3-carboxylate
CID 11356776
ethyl 6-amino-2-fluoropyridine-3-carboxylate
CID 118545226
diethyl 5-(oxo(113C)methyl)-(4,5-13C2,115N)1H-pyrrole-2,4-dicarboxylate
CID 45379992
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 600067
ethyl 6-cyano-2-ethylpyridine-3-carboxylate
CID 141150899
ethyl 4-(3-amino-6-methyl-2-pyridinyl)but-3-enoate
CID 170795786

Frequently Asked Questions

What is the IUPAC name of ethyl 2-formyl-6-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-formyl-6-methylpyridine-3-carboxylate (CID 112757143) is ethyl 2-formyl-6-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-formyl-6-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-formyl-6-methylpyridine-3-carboxylate is CCOC(=O)c1ccc(C)nc1C=O.
What is the InChIKey of ethyl 2-formyl-6-methylpyridine-3-carboxylate?
The InChIKey is PDMMGZQGJGYPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-3-14-10(13)8-5-4-7(2)11-9(8)6-12/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2-formyl-6-methylpyridine-3-carboxylate?
ethyl 2-formyl-6-methylpyridine-3-carboxylate has a molecular weight of 193.20 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-formyl-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 112757143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).