methyl 2-chloro-5-ethyl-4-methyl-6-oxo-1H-pyridine-3-carboxylate

C10H12ClNO3 — CID 69285399

IUPACmethyl 2-chloro-5-ethyl-4-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCCc1c(C)c(C(=O)OC)c(Cl)[nH]c1=O
InChIInChI=1S/C10H12ClNO3/c1-4-6-5(2)7(10(14)15-3)8(11)12-9(6)13/h4H2,1-3H3,(H,12,13)
InChIKeyZSBBBRNXAVMNBQ-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.69
Rot. Bonds2

About methyl 2-chloro-5-ethyl-4-methyl-6-oxo-1H-pyridine-3-carboxylate

methyl 2-chloro-5-ethyl-4-methyl-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 69285399) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is methyl 2-chloro-5-ethyl-4-methyl-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-5-ethyl-4-methyl-6-oxo-1H-pyridine-3-carboxylate
PubChem CID69285399
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Namemethyl 2-chloro-5-ethyl-4-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCCc1c(C)c(C(=O)OC)c(Cl)[nH]c1=O
InChIInChI=1S/C10H12ClNO3/c1-4-6-5(2)7(10(14)15-3)8(11)12-9(6)13/h4H2,1-3H3,(H,12,13)
InChIKeyZSBBBRNXAVMNBQ-UHFFFAOYSA-N
XLogP1.69
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate
CID 58024646
ethyl 5-ethyl-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 135431328
5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid
CID 2446824
dimethyl 5-methyl-6-oxo-1H-pyridine-3,4-dicarboxylate
CID 15441123
methyl 5-chloro-4-formyl-2-methyl-1H-pyrrole-3-carboxylate
CID 146082003
methyl 2,5-dichloro-3,6-dihydroxy-4-methylbenzoate
CID 140966674
methyl 7-chloro-5-ethyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
CID 54726653
4-O-ethyl 5-O-methyl 3-methyl-6-oxo-1H-pyridazine-4,5-dicarboxylate
CID 10657654
methyl 4,6-dichloro-2,5-dimethylpyridine-3-carboxylate
CID 20703477
ethyl 4-chloro-6-(4-chlorophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate
CID 118278384
methyl 2-ethyl-5-(ethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate
CID 47123246
methyl 2,3,4,5,6-pentachlorobenzoate
CID 12827694

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-ethyl-4-methyl-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 2-chloro-5-ethyl-4-methyl-6-oxo-1H-pyridine-3-carboxylate (CID 69285399) is methyl 2-chloro-5-ethyl-4-methyl-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-chloro-5-ethyl-4-methyl-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 2-chloro-5-ethyl-4-methyl-6-oxo-1H-pyridine-3-carboxylate is CCc1c(C)c(C(=O)OC)c(Cl)[nH]c1=O.
What is the InChIKey of methyl 2-chloro-5-ethyl-4-methyl-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is ZSBBBRNXAVMNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-4-6-5(2)7(10(14)15-3)8(11)12-9(6)13/h4H2,1-3H3,(H,12,13).
What are the key properties of methyl 2-chloro-5-ethyl-4-methyl-6-oxo-1H-pyridine-3-carboxylate?
methyl 2-chloro-5-ethyl-4-methyl-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 229.66 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-ethyl-4-methyl-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 69285399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).