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

C9H10ClNO2 — CID 154578056

IUPACmethyl 4-chloro-5,6-dimethylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C)c(C)c1Cl
InChIInChI=1S/C9H10ClNO2/c1-5-6(2)11-4-7(8(5)10)9(12)13-3/h4H,1-3H3
InChIKeyBMRFFRHYNVAOAB-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.14
Rot. Bonds1

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

methyl 4-chloro-5,6-dimethylpyridine-3-carboxylate (PubChem CID 154578056) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is methyl 4-chloro-5,6-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-5,6-dimethylpyridine-3-carboxylate
PubChem CID154578056
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Namemethyl 4-chloro-5,6-dimethylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C)c(C)c1Cl
InChIInChI=1S/C9H10ClNO2/c1-5-6(2)11-4-7(8(5)10)9(12)13-3/h4H,1-3H3
InChIKeyBMRFFRHYNVAOAB-UHFFFAOYSA-N
XLogP2.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-chloro-5,6-dimethylpyridine-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 4,6-dichloro-5-methylpyridine-3-carboxylate
CID 87230257
methyl 4,6-dichloro-5-phosphanylpyridine-3-carboxylate
CID 178139043
methyl 4,6-dichloro-8-methylquinoline-3-carboxylate
CID 102614436
methyl 4,5,8-trichloroquinoline-3-carboxylate
CID 102614359
methyl 2-chloro-4-hydroxy-3-methylbenzoate
CID 11820124
methyl 4,7,8-trichloroquinoline-3-carboxylate
CID 102614405
methyl 4-chloro-5,6,7-trifluoroquinoline-3-carboxylate
CID 102614483
methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 102614410
methyl 4,8-dichloroquinoline-3-carboxylate
CID 112703942
tert-butyl 4,6-dichloro-5-methylpyridine-3-carboxylate
CID 172818314
4-chloro-5-methoxy-2,3-dimethylpyridine
CID 123946881
methyl 4,6-dichloro-2,5-dimethylpyridine-3-carboxylate
CID 20703477

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-5,6-dimethylpyridine-3-carboxylate?
The IUPAC name of methyl 4-chloro-5,6-dimethylpyridine-3-carboxylate (CID 154578056) is methyl 4-chloro-5,6-dimethylpyridine-3-carboxylate.
What is the SMILES notation for methyl 4-chloro-5,6-dimethylpyridine-3-carboxylate?
The canonical SMILES for methyl 4-chloro-5,6-dimethylpyridine-3-carboxylate is COC(=O)c1cnc(C)c(C)c1Cl.
What is the InChIKey of methyl 4-chloro-5,6-dimethylpyridine-3-carboxylate?
The InChIKey is BMRFFRHYNVAOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-5-6(2)11-4-7(8(5)10)9(12)13-3/h4H,1-3H3.
What are the key properties of methyl 4-chloro-5,6-dimethylpyridine-3-carboxylate?
methyl 4-chloro-5,6-dimethylpyridine-3-carboxylate has a molecular weight of 199.64 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-5,6-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 154578056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).