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

C10H9ClN2O2 — CID 20703481

IUPACmethyl 6-chloro-4-cyano-2,5-dimethylpyridine-3-carboxylate
SMILESCOC(=O)c1c(C)nc(Cl)c(C)c1C#N
InChIInChI=1S/C10H9ClN2O2/c1-5-7(4-12)8(10(14)15-3)6(2)13-9(5)11/h1-3H3
InChIKeyCAVQJAYULGDDLK-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.01
Rot. Bonds1

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

methyl 6-chloro-4-cyano-2,5-dimethylpyridine-3-carboxylate (PubChem CID 20703481) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is methyl 6-chloro-4-cyano-2,5-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-4-cyano-2,5-dimethylpyridine-3-carboxylate
PubChem CID20703481
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Namemethyl 6-chloro-4-cyano-2,5-dimethylpyridine-3-carboxylate
SMILESCOC(=O)c1c(C)nc(Cl)c(C)c1C#N
InChIInChI=1S/C10H9ClN2O2/c1-5-7(4-12)8(10(14)15-3)6(2)13-9(5)11/h1-3H3
InChIKeyCAVQJAYULGDDLK-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

Computed Properties (RDKit)

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

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Related Compounds

methyl 4,6-dichloro-2,5-dimethylpyridine-3-carboxylate
CID 20703477
methyl 5,6-diamino-4-cyano-2-methylpyridine-3-carboxylate
CID 20703479
methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate
CID 115022124
methyl 2-(6-chloro-5-cyano-2,4-dimethyl-3-pyridinyl)acetate
CID 84613491
methyl 4,6-dichloro-5-methylpyrimidine-2-carboxylate
CID 58937974
methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563
methyl 4-amino-6-chloro-5-cyanopyridine-2-carboxylate
CID 58685812
sodium;methanolate;2-methylbenzene-1,3-diamine;methyl 2,3,4,5-tetrachloro-6-cyanobenzoate
CID 23674310
methyl 5-cyano-4-(2,6-dichlorophenyl)-2-(methoxymethyl)-6-methylpyridine-3-carboxylate
CID 68800566
methyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)pyridine-3-carboxylate
CID 42598064
methyl 4-amino-5-cyano-2-methyl-6-phenoxypyridine-3-carboxylate
CID 45104903
methyl 2-chloro-4-cyanopyridine-3-carboxylate
CID 58317566

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-4-cyano-2,5-dimethylpyridine-3-carboxylate?
The IUPAC name of methyl 6-chloro-4-cyano-2,5-dimethylpyridine-3-carboxylate (CID 20703481) is methyl 6-chloro-4-cyano-2,5-dimethylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-4-cyano-2,5-dimethylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-chloro-4-cyano-2,5-dimethylpyridine-3-carboxylate is COC(=O)c1c(C)nc(Cl)c(C)c1C#N.
What is the InChIKey of methyl 6-chloro-4-cyano-2,5-dimethylpyridine-3-carboxylate?
The InChIKey is CAVQJAYULGDDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-5-7(4-12)8(10(14)15-3)6(2)13-9(5)11/h1-3H3.
What are the key properties of methyl 6-chloro-4-cyano-2,5-dimethylpyridine-3-carboxylate?
methyl 6-chloro-4-cyano-2,5-dimethylpyridine-3-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 6-chloro-4-cyano-2,5-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 20703481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).