methyl 4,6-dichloro-5-methylpyridine-3-carboxylate

C8H7Cl2NO2 — CID 87230257

IUPACmethyl 4,6-dichloro-5-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Cl)c(C)c1Cl
InChIInChI=1S/C8H7Cl2NO2/c1-4-6(9)5(8(12)13-2)3-11-7(4)10/h3H,1-2H3
InChIKeyDMWFUFYCVMLRHQ-UHFFFAOYSA-N
MW220.05 g/mol
LogP2.48
Rot. Bonds1

About methyl 4,6-dichloro-5-methylpyridine-3-carboxylate

methyl 4,6-dichloro-5-methylpyridine-3-carboxylate (PubChem CID 87230257) has the molecular formula C8H7Cl2NO2 and a molecular weight of 220.05 g/mol. Its IUPAC name is methyl 4,6-dichloro-5-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4,6-dichloro-5-methylpyridine-3-carboxylate
PubChem CID87230257
Molecular FormulaC8H7Cl2NO2
Molecular Weight220.05 g/mol
Exact Mass218.99
IUPAC Namemethyl 4,6-dichloro-5-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Cl)c(C)c1Cl
InChIInChI=1S/C8H7Cl2NO2/c1-4-6(9)5(8(12)13-2)3-11-7(4)10/h3H,1-2H3
InChIKeyDMWFUFYCVMLRHQ-UHFFFAOYSA-N
XLogP2.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.05
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 4,6-dichloro-5-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

methyl 4-chloro-5,6-dimethylpyridine-3-carboxylate
CID 154578056
tert-butyl 4,6-dichloro-5-methylpyridine-3-carboxylate
CID 172818314
methyl 4,6-dichloro-5-phosphanylpyridine-3-carboxylate
CID 178139043
methyl 4,6-dichloro-2,5-dimethylpyridine-3-carboxylate
CID 20703477
methyl 4,6-dichloro-8-methylquinoline-3-carboxylate
CID 102614436
methyl 2-chloro-4-methoxypyrimidine-5-carboxylate
CID 71741355
2-chloro-5-methylpyridine-3-carboxylic acid;methyl 2-chloro-5-methylpyridine-3-carboxylate
CID 159563322
methyl 4,5,8-trichloroquinoline-3-carboxylate
CID 102614359
methyl 2,6-dichloro-5-methylpyridine-3-carboxylate
CID 14364375
methyl 2-chloro-4-hydroxy-3-methylbenzoate
CID 11820124
methyl 7-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 84690112
methyl 4,7,8-trichloroquinoline-3-carboxylate
CID 102614405

Frequently Asked Questions

What is the IUPAC name of methyl 4,6-dichloro-5-methylpyridine-3-carboxylate?
The IUPAC name of methyl 4,6-dichloro-5-methylpyridine-3-carboxylate (CID 87230257) is methyl 4,6-dichloro-5-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 4,6-dichloro-5-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 4,6-dichloro-5-methylpyridine-3-carboxylate is COC(=O)c1cnc(Cl)c(C)c1Cl.
What is the InChIKey of methyl 4,6-dichloro-5-methylpyridine-3-carboxylate?
The InChIKey is DMWFUFYCVMLRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO2/c1-4-6(9)5(8(12)13-2)3-11-7(4)10/h3H,1-2H3.
What are the key properties of methyl 4,6-dichloro-5-methylpyridine-3-carboxylate?
methyl 4,6-dichloro-5-methylpyridine-3-carboxylate has a molecular weight of 220.05 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,6-dichloro-5-methylpyridine-3-carboxylate is sourced from PubChem (CID 87230257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).