ethyl 6-chloro-5-formylpyridine-3-carboxylate

C9H8ClNO3 — CID 150533511

IUPACethyl 6-chloro-5-formylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(Cl)c(C=O)c1
InChIInChI=1S/C9H8ClNO3/c1-2-14-9(13)6-3-7(5-12)8(10)11-4-6/h3-5H,2H2,1H3
InChIKeyIEIRSNKMWOQFBT-UHFFFAOYSA-N
MW213.62 g/mol
LogP1.72
Rot. Bonds3

About ethyl 6-chloro-5-formylpyridine-3-carboxylate

ethyl 6-chloro-5-formylpyridine-3-carboxylate (PubChem CID 150533511) has the molecular formula C9H8ClNO3 and a molecular weight of 213.62 g/mol. Its IUPAC name is ethyl 6-chloro-5-formylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-5-formylpyridine-3-carboxylate
PubChem CID150533511
Molecular FormulaC9H8ClNO3
Molecular Weight213.62 g/mol
Exact Mass213.02
IUPAC Nameethyl 6-chloro-5-formylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(Cl)c(C=O)c1
InChIInChI=1S/C9H8ClNO3/c1-2-14-9(13)6-3-7(5-12)8(10)11-4-6/h3-5H,2H2,1H3
InChIKeyIEIRSNKMWOQFBT-UHFFFAOYSA-N
XLogP1.72
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze ethyl 6-chloro-5-formylpyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-ethenyl-6-ethylpyridine-3-carboxylate
CID 169260890
6-chloro-5-(4-ethoxy-4-oxobut-1-enyl)pyridine-3-carboxylic acid
CID 170796539
ethyl 6-chloro-5-methylpyridine-3-carboxylate;ethyl 5-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 158952249
ethyl 5-hydroxy-6-methylpyridine-3-carboxylate
CID 15619972
ethyl 1,4-dichloroisoquinoline-7-carboxylate
CID 18698389
ethyl 3-formyl-4-trimethylsilyloxybenzoate
CID 167723908
[2-(ethoxycarbonylamino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 8021617
ethyl 6-amino-5-iodopyridine-3-carboxylate
CID 67057368
ethyl 5-formyl-3-methylpyridine-2-carboxylate
CID 145295306
ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate
CID 118366162
methyl 6-chloro-5-(3-sulfanylprop-1-enyl)pyridine-3-carboxylate
CID 169455794
ethyl 4-(2-chloropropanoyl)-3-formylbenzoate
CID 134641196

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-5-formylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-chloro-5-formylpyridine-3-carboxylate (CID 150533511) is ethyl 6-chloro-5-formylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-5-formylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-5-formylpyridine-3-carboxylate is CCOC(=O)c1cnc(Cl)c(C=O)c1.
What is the InChIKey of ethyl 6-chloro-5-formylpyridine-3-carboxylate?
The InChIKey is IEIRSNKMWOQFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3/c1-2-14-9(13)6-3-7(5-12)8(10)11-4-6/h3-5H,2H2,1H3.
What are the key properties of ethyl 6-chloro-5-formylpyridine-3-carboxylate?
ethyl 6-chloro-5-formylpyridine-3-carboxylate has a molecular weight of 213.62 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-5-formylpyridine-3-carboxylate is sourced from PubChem (CID 150533511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).