methyl 2-chloro-4-(dimethylamino)-6-methylpyridine-3-carboxylate

C10H13ClN2O2 — CID 115036911

IUPACmethyl 2-chloro-4-(dimethylamino)-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1c(N(C)C)cc(C)nc1Cl
InChIInChI=1S/C10H13ClN2O2/c1-6-5-7(13(2)3)8(9(11)12-6)10(14)15-4/h5H,1-4H3
InChIKeyKFADKVQJLDKGIA-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.90
Rot. Bonds2

About methyl 2-chloro-4-(dimethylamino)-6-methylpyridine-3-carboxylate

methyl 2-chloro-4-(dimethylamino)-6-methylpyridine-3-carboxylate (PubChem CID 115036911) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is methyl 2-chloro-4-(dimethylamino)-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-4-(dimethylamino)-6-methylpyridine-3-carboxylate
PubChem CID115036911
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Namemethyl 2-chloro-4-(dimethylamino)-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1c(N(C)C)cc(C)nc1Cl
InChIInChI=1S/C10H13ClN2O2/c1-6-5-7(13(2)3)8(9(11)12-6)10(14)15-4/h5H,1-4H3
InChIKeyKFADKVQJLDKGIA-UHFFFAOYSA-N
XLogP1.90
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563
methyl 2-chloro-6-methyl-4-pentan-3-yloxypyridine-3-carboxylate
CID 24806871
methyl 2-chloro-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylate
CID 24806876
methyl 2,6-dichloro-5-methylpyridine-3-carboxylate
CID 14364375
methyl 4,6-dichloro-5-methylpyrimidine-2-carboxylate
CID 58937974
methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate
CID 115022124
methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833
methyl 3-chloro-4-methoxy-6-methylpyridine-2-carboxylate
CID 142574242
methyl 4-chloro-2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-3-carboxylate
CID 24806260
methyl 4-chloro-6-methyl-[1,3]thiazolo[4,5-c]pyridine-2-carboxylate
CID 76850497
ethane;methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 142241895
dimethyl 5-amino-3-[(2-chloro-4,6-dimethylpyridine-3-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate
CID 8510950

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-(dimethylamino)-6-methylpyridine-3-carboxylate?
The IUPAC name of methyl 2-chloro-4-(dimethylamino)-6-methylpyridine-3-carboxylate (CID 115036911) is methyl 2-chloro-4-(dimethylamino)-6-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-chloro-4-(dimethylamino)-6-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-chloro-4-(dimethylamino)-6-methylpyridine-3-carboxylate is COC(=O)c1c(N(C)C)cc(C)nc1Cl.
What is the InChIKey of methyl 2-chloro-4-(dimethylamino)-6-methylpyridine-3-carboxylate?
The InChIKey is KFADKVQJLDKGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-6-5-7(13(2)3)8(9(11)12-6)10(14)15-4/h5H,1-4H3.
What are the key properties of methyl 2-chloro-4-(dimethylamino)-6-methylpyridine-3-carboxylate?
methyl 2-chloro-4-(dimethylamino)-6-methylpyridine-3-carboxylate has a molecular weight of 228.68 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-(dimethylamino)-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 115036911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).