ethyl 5-formyl-3-methylpyridine-2-carboxylate

C10H11NO3 — CID 145295306

IUPACethyl 5-formyl-3-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(C=O)cc1C
InChIInChI=1S/C10H11NO3/c1-3-14-10(13)9-7(2)4-8(6-12)5-11-9/h4-6H,3H2,1-2H3
InChIKeyPOBHBTSFKCUFAL-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.38
Rot. Bonds3

About ethyl 5-formyl-3-methylpyridine-2-carboxylate

ethyl 5-formyl-3-methylpyridine-2-carboxylate (PubChem CID 145295306) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is ethyl 5-formyl-3-methylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-formyl-3-methylpyridine-2-carboxylate
PubChem CID145295306
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Nameethyl 5-formyl-3-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(C=O)cc1C
InChIInChI=1S/C10H11NO3/c1-3-14-10(13)9-7(2)4-8(6-12)5-11-9/h4-6H,3H2,1-2H3
InChIKeyPOBHBTSFKCUFAL-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 5-amino-3-methylpyridine-2-carboxylate
CID 118878054
ethyl 3-chloro-5-formylpyridine-2-carboxylate;ethyl 3-chloro-5-(hydroxymethyl)pyridine-2-carboxylate
CID 163577147
ethyl 3,5-diethylpyridine-2-carboxylate
CID 67884033
ethyl 4-formyl-2-methoxy-6-methylbenzoate
CID 171024646
ethyl 3-(2-oxoethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134461725
ethyl 6-chloro-5-formylpyridine-3-carboxylate
CID 150533511
ethyl 5-amino-3-fluoropyridine-2-carboxylate
CID 119005075
diethyl 5-chloropyridine-2,3-dicarboxylate
CID 14097638
4-ethoxy-3,5-dimethylbenzaldehyde
CID 18182978
3-butoxycarbonyl-5-formylpyridine-2-carboxylic acid
CID 91020914
ethyl 5-hydroxy-6-methylpyridine-3-carboxylate
CID 15619972
ethyl 5-bromo-3-iodopyridine-2-carboxylate
CID 133062271

Frequently Asked Questions

What is the IUPAC name of ethyl 5-formyl-3-methylpyridine-2-carboxylate?
The IUPAC name of ethyl 5-formyl-3-methylpyridine-2-carboxylate (CID 145295306) is ethyl 5-formyl-3-methylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-formyl-3-methylpyridine-2-carboxylate?
The canonical SMILES for ethyl 5-formyl-3-methylpyridine-2-carboxylate is CCOC(=O)c1ncc(C=O)cc1C.
What is the InChIKey of ethyl 5-formyl-3-methylpyridine-2-carboxylate?
The InChIKey is POBHBTSFKCUFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-3-14-10(13)9-7(2)4-8(6-12)5-11-9/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 5-formyl-3-methylpyridine-2-carboxylate?
ethyl 5-formyl-3-methylpyridine-2-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 5-formyl-3-methylpyridine-2-carboxylate is sourced from PubChem (CID 145295306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).