methyl 5-chloro-3-cyano-4,6-dimethylpyridine-2-carboxylate

C10H9ClN2O2 — CID 140830629

IUPACmethyl 5-chloro-3-cyano-4,6-dimethylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(C)c(Cl)c(C)c1C#N
InChIInChI=1S/C10H9ClN2O2/c1-5-7(4-12)9(10(14)15-3)13-6(2)8(5)11/h1-3H3
InChIKeyMHDTVDGEYIDXHK-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.01
Rot. Bonds1

About methyl 5-chloro-3-cyano-4,6-dimethylpyridine-2-carboxylate

methyl 5-chloro-3-cyano-4,6-dimethylpyridine-2-carboxylate (PubChem CID 140830629) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is methyl 5-chloro-3-cyano-4,6-dimethylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-3-cyano-4,6-dimethylpyridine-2-carboxylate
PubChem CID140830629
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Namemethyl 5-chloro-3-cyano-4,6-dimethylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(C)c(Cl)c(C)c1C#N
InChIInChI=1S/C10H9ClN2O2/c1-5-7(4-12)9(10(14)15-3)13-6(2)8(5)11/h1-3H3
InChIKeyMHDTVDGEYIDXHK-UHFFFAOYSA-N
XLogP2.01
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-chloro-3-cyano-4,6-dimethylpyridine-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-3-cyano-4,6-dimethylpyridine-2-carboxylate?
The IUPAC name of methyl 5-chloro-3-cyano-4,6-dimethylpyridine-2-carboxylate (CID 140830629) is methyl 5-chloro-3-cyano-4,6-dimethylpyridine-2-carboxylate.
What is the SMILES notation for methyl 5-chloro-3-cyano-4,6-dimethylpyridine-2-carboxylate?
The canonical SMILES for methyl 5-chloro-3-cyano-4,6-dimethylpyridine-2-carboxylate is COC(=O)c1nc(C)c(Cl)c(C)c1C#N.
What is the InChIKey of methyl 5-chloro-3-cyano-4,6-dimethylpyridine-2-carboxylate?
The InChIKey is MHDTVDGEYIDXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-5-7(4-12)9(10(14)15-3)13-6(2)8(5)11/h1-3H3.
What are the key properties of methyl 5-chloro-3-cyano-4,6-dimethylpyridine-2-carboxylate?
methyl 5-chloro-3-cyano-4,6-dimethylpyridine-2-carboxylate has a molecular weight of 224.65 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-3-cyano-4,6-dimethylpyridine-2-carboxylate is sourced from PubChem (CID 140830629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).