ethyl 2,6-dichloro-5-fluoro-4-methylpyridine-3-carboxylate

C9H8Cl2FNO2 — CID 23364517

IUPACethyl 2,6-dichloro-5-fluoro-4-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cl)nc(Cl)c(F)c1C
InChIInChI=1S/C9H8Cl2FNO2/c1-3-15-9(14)5-4(2)6(12)8(11)13-7(5)10/h3H2,1-2H3
InChIKeyWQJOFLXFCGEJRH-UHFFFAOYSA-N
MW252.07 g/mol
LogP3.01
Rot. Bonds2

About ethyl 2,6-dichloro-5-fluoro-4-methylpyridine-3-carboxylate

ethyl 2,6-dichloro-5-fluoro-4-methylpyridine-3-carboxylate (PubChem CID 23364517) has the molecular formula C9H8Cl2FNO2 and a molecular weight of 252.07 g/mol. Its IUPAC name is ethyl 2,6-dichloro-5-fluoro-4-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-dichloro-5-fluoro-4-methylpyridine-3-carboxylate
PubChem CID23364517
Molecular FormulaC9H8Cl2FNO2
Molecular Weight252.07 g/mol
Exact Mass250.99
IUPAC Nameethyl 2,6-dichloro-5-fluoro-4-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cl)nc(Cl)c(F)c1C
InChIInChI=1S/C9H8Cl2FNO2/c1-3-15-9(14)5-4(2)6(12)8(11)13-7(5)10/h3H2,1-2H3
InChIKeyWQJOFLXFCGEJRH-UHFFFAOYSA-N
XLogP3.01
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2,6-dichloro-5-fluoro-4-methylpyridine-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

(Z)-2-(2,6-dichloro-5-fluoro-4-methylpyridine-3-carbonyl)-3-ethoxyprop-2-enoic acid
CID 87890530
2,6-dichloro-5-fluoro-4-methylpyridine-3-carbonyl chloride
CID 54448923
ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739
ethyl 4-chloro-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylate
CID 14387086
ethyl 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 134684738
ethyl 3-chloro-2,5,6-trifluorobenzoate
CID 134644179
ethyl 7-bromo-2,4,6-trichloro-8-fluoroquinoline-3-carboxylate
CID 155387599
(Z)-2-(2,6-dichloro-5-fluoro-4-iodopyridine-3-carbonyl)-3-ethoxyprop-2-enoic acid
CID 87889871
ethyl 7-chloro-6-fluoro-5-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 86650142
ethyl 6-chloro-3-fluoro-2-methylbenzoate
CID 130921289
ethyl 4-chloro-2,3,6-trifluorobenzoate
CID 134643432
ethyl 4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylpyrimidine-5-carboxylate
CID 118348302

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dichloro-5-fluoro-4-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 2,6-dichloro-5-fluoro-4-methylpyridine-3-carboxylate (CID 23364517) is ethyl 2,6-dichloro-5-fluoro-4-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,6-dichloro-5-fluoro-4-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2,6-dichloro-5-fluoro-4-methylpyridine-3-carboxylate is CCOC(=O)c1c(Cl)nc(Cl)c(F)c1C.
What is the InChIKey of ethyl 2,6-dichloro-5-fluoro-4-methylpyridine-3-carboxylate?
The InChIKey is WQJOFLXFCGEJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2FNO2/c1-3-15-9(14)5-4(2)6(12)8(11)13-7(5)10/h3H2,1-2H3.
What are the key properties of ethyl 2,6-dichloro-5-fluoro-4-methylpyridine-3-carboxylate?
ethyl 2,6-dichloro-5-fluoro-4-methylpyridine-3-carboxylate has a molecular weight of 252.07 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dichloro-5-fluoro-4-methylpyridine-3-carboxylate is sourced from PubChem (CID 23364517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).