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

C9H9Cl2NO2 — CID 604813

IUPACethyl 2,4-dichloro-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cl)cc(C)nc1Cl
InChIInChI=1S/C9H9Cl2NO2/c1-3-14-9(13)7-6(10)4-5(2)12-8(7)11/h4H,3H2,1-2H3
InChIKeyZNFJVVLTQSOWJY-UHFFFAOYSA-N
MW234.08 g/mol
LogP2.87
Rot. Bonds2

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

ethyl 2,4-dichloro-6-methylpyridine-3-carboxylate (PubChem CID 604813) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is ethyl 2,4-dichloro-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dichloro-6-methylpyridine-3-carboxylate
PubChem CID604813
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Nameethyl 2,4-dichloro-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cl)cc(C)nc1Cl
InChIInChI=1S/C9H9Cl2NO2/c1-3-14-9(13)7-6(10)4-5(2)12-8(7)11/h4H,3H2,1-2H3
InChIKeyZNFJVVLTQSOWJY-UHFFFAOYSA-N
XLogP2.87
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-4,6-dimethylpyridine-3-carboxylic acid
CID 591127
2-Chloro-6-methylnicotinic acid
CID 121724
Ethyl 2,4-dichloroquinoline-3-carboxylate
CID 228269
Ethyl 6-chloronicotinate
CID 2799611
Ethyl 4-(dicyanomethyl)-2,6-dimethylpyridine-3-carboxylate
CID 658661
6-(4-Chlorophenyl)-2-methyl-3-pyridinecarboxylic acid methyl ester
CID 822962
2-Chloro-5,6-dimethylpyridine-3-carboxylic acid
CID 6484125
Ethyl 4,6-dichloropyridine-3-carboxylate
CID 600045
Ethyl chloronicotinate
CID 2796614
Dipropyl 2-(3-chlorophenyl)-4,6-diethylpyridine-3,5-dicarboxylate
CID 44413098
Methyl 2-Chloro-6-methylisonicotinate
CID 2759833
Ethyl 6-chloro-5-cyano-2-methylnicotinate
CID 2786689

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dichloro-6-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 2,4-dichloro-6-methylpyridine-3-carboxylate (CID 604813) is ethyl 2,4-dichloro-6-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,4-dichloro-6-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2,4-dichloro-6-methylpyridine-3-carboxylate is CCOC(=O)c1c(Cl)cc(C)nc1Cl.
What is the InChIKey of ethyl 2,4-dichloro-6-methylpyridine-3-carboxylate?
The InChIKey is ZNFJVVLTQSOWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c1-3-14-9(13)7-6(10)4-5(2)12-8(7)11/h4H,3H2,1-2H3.
What are the key properties of ethyl 2,4-dichloro-6-methylpyridine-3-carboxylate?
ethyl 2,4-dichloro-6-methylpyridine-3-carboxylate has a molecular weight of 234.08 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dichloro-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 604813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).