ethyl 4-chloro-2-formylpyridine-3-carboxylate

C9H8ClNO3 — CID 86683157

IUPACethyl 4-chloro-2-formylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cl)ccnc1C=O
InChIInChI=1S/C9H8ClNO3/c1-2-14-9(13)8-6(10)3-4-11-7(8)5-12/h3-5H,2H2,1H3
InChIKeyWEDKYZPQKCMTPN-UHFFFAOYSA-N
MW213.62 g/mol
LogP1.72
Rot. Bonds3

About ethyl 4-chloro-2-formylpyridine-3-carboxylate

ethyl 4-chloro-2-formylpyridine-3-carboxylate (PubChem CID 86683157) has the molecular formula C9H8ClNO3 and a molecular weight of 213.62 g/mol. Its IUPAC name is ethyl 4-chloro-2-formylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-2-formylpyridine-3-carboxylate
PubChem CID86683157
Molecular FormulaC9H8ClNO3
Molecular Weight213.62 g/mol
Exact Mass213.02
IUPAC Nameethyl 4-chloro-2-formylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cl)ccnc1C=O
InChIInChI=1S/C9H8ClNO3/c1-2-14-9(13)8-6(10)3-4-11-7(8)5-12/h3-5H,2H2,1H3
InChIKeyWEDKYZPQKCMTPN-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': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-chloro-2-propan-2-ylpyridine-3-carboxylate
CID 59589379
diethyl 2-chloropyridine-3,4-dicarboxylate
CID 86639619
ethyl 6-chloro-3-formyl-2-methylbenzoate
CID 171006023
ethyl 2-ethenyl-4-iodopyridine-3-carboxylate
CID 121321231
ethyl 3,6-dichloro-2-hydroxybenzoate
CID 130788208
4-chloro-3-propylpyridine-2-carbaldehyde
CID 126687439
ethyl 2,6-dichloro-3-methylbenzoate
CID 130783153
ethyl 4-benzoyl-2-chloropyridine-3-carboxylate
CID 15850395
ethyl 2-(bromomethyl)-3,6-dichlorobenzoate
CID 86723724
ethyl 6-chloro-3-fluoro-2-methylbenzoate
CID 130921289
ethyl 2,4,6-trichlorobenzoate
CID 91733956
ethyl 3-chloro-4-(difluoromethyl)pyridine-2-carboxylate
CID 133088342

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-2-formylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-chloro-2-formylpyridine-3-carboxylate (CID 86683157) is ethyl 4-chloro-2-formylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-2-formylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-2-formylpyridine-3-carboxylate is CCOC(=O)c1c(Cl)ccnc1C=O.
What is the InChIKey of ethyl 4-chloro-2-formylpyridine-3-carboxylate?
The InChIKey is WEDKYZPQKCMTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3/c1-2-14-9(13)8-6(10)3-4-11-7(8)5-12/h3-5H,2H2,1H3.
What are the key properties of ethyl 4-chloro-2-formylpyridine-3-carboxylate?
ethyl 4-chloro-2-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 4-chloro-2-formylpyridine-3-carboxylate is sourced from PubChem (CID 86683157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).