methyl 2-chloro-6-(2,4-dimethoxy-N-methylanilino)pyridine-4-carboxylate

C16H17ClN2O4 — CID 118295506

IUPACmethyl 2-chloro-6-(2,4-dimethoxy-N-methylanilino)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(Cl)nc(N(C)c2ccc(OC)cc2OC)c1
InChIInChI=1S/C16H17ClN2O4/c1-19(12-6-5-11(21-2)9-13(12)22-3)15-8-10(16(20)23-4)7-14(17)18-15/h5-9H,1-4H3
InChIKeyBUFVJUBNOURWSO-UHFFFAOYSA-N
MW336.78 g/mol
LogP3.31
Rot. Bonds5

About methyl 2-chloro-6-(2,4-dimethoxy-N-methylanilino)pyridine-4-carboxylate

methyl 2-chloro-6-(2,4-dimethoxy-N-methylanilino)pyridine-4-carboxylate (PubChem CID 118295506) has the molecular formula C16H17ClN2O4 and a molecular weight of 336.78 g/mol. Its IUPAC name is methyl 2-chloro-6-(2,4-dimethoxy-N-methylanilino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-6-(2,4-dimethoxy-N-methylanilino)pyridine-4-carboxylate
PubChem CID118295506
Molecular FormulaC16H17ClN2O4
Molecular Weight336.78 g/mol
Exact Mass336.09
IUPAC Namemethyl 2-chloro-6-(2,4-dimethoxy-N-methylanilino)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(Cl)nc(N(C)c2ccc(OC)cc2OC)c1
InChIInChI=1S/C16H17ClN2O4/c1-19(12-6-5-11(21-2)9-13(12)22-3)15-8-10(16(20)23-4)7-14(17)18-15/h5-9H,1-4H3
InChIKeyBUFVJUBNOURWSO-UHFFFAOYSA-N
XLogP3.31
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-chloro-6-(2,4-dimethoxy-N-methylanilino)pyridine-4-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 2-chloro-6-(2,4-dimethoxy-N-methylanilino)pyridine-4-carboxylate?
The IUPAC name of methyl 2-chloro-6-(2,4-dimethoxy-N-methylanilino)pyridine-4-carboxylate (CID 118295506) is methyl 2-chloro-6-(2,4-dimethoxy-N-methylanilino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-chloro-6-(2,4-dimethoxy-N-methylanilino)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-chloro-6-(2,4-dimethoxy-N-methylanilino)pyridine-4-carboxylate is COC(=O)c1cc(Cl)nc(N(C)c2ccc(OC)cc2OC)c1.
What is the InChIKey of methyl 2-chloro-6-(2,4-dimethoxy-N-methylanilino)pyridine-4-carboxylate?
The InChIKey is BUFVJUBNOURWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4/c1-19(12-6-5-11(21-2)9-13(12)22-3)15-8-10(16(20)23-4)7-14(17)18-15/h5-9H,1-4H3.
What are the key properties of methyl 2-chloro-6-(2,4-dimethoxy-N-methylanilino)pyridine-4-carboxylate?
methyl 2-chloro-6-(2,4-dimethoxy-N-methylanilino)pyridine-4-carboxylate has a molecular weight of 336.78 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-6-(2,4-dimethoxy-N-methylanilino)pyridine-4-carboxylate is sourced from PubChem (CID 118295506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).