methyl 2-chloro-6-(2-ethoxyethenyl)pyridine-4-carboxylate

C11H12ClNO3 — CID 173129747

IUPACmethyl 2-chloro-6-(2-ethoxyethenyl)pyridine-4-carboxylate
SMILESCCOC=Cc1cc(C(=O)OC)cc(Cl)n1
InChIInChI=1S/C11H12ClNO3/c1-3-16-5-4-9-6-8(11(14)15-2)7-10(12)13-9/h4-7H,3H2,1-2H3
InChIKeyQSNBQEROCCEQCN-UHFFFAOYSA-N
MW241.67 g/mol
LogP2.53
Rot. Bonds4

About methyl 2-chloro-6-(2-ethoxyethenyl)pyridine-4-carboxylate

methyl 2-chloro-6-(2-ethoxyethenyl)pyridine-4-carboxylate (PubChem CID 173129747) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is methyl 2-chloro-6-(2-ethoxyethenyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-6-(2-ethoxyethenyl)pyridine-4-carboxylate
PubChem CID173129747
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Namemethyl 2-chloro-6-(2-ethoxyethenyl)pyridine-4-carboxylate
SMILESCCOC=Cc1cc(C(=O)OC)cc(Cl)n1
InChIInChI=1S/C11H12ClNO3/c1-3-16-5-4-9-6-8(11(14)15-2)7-10(12)13-9/h4-7H,3H2,1-2H3
InChIKeyQSNBQEROCCEQCN-UHFFFAOYSA-N
XLogP2.53
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-6-(2-ethoxyethenyl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-chloro-6-(2-ethoxyethenyl)pyridine-4-carboxylate (CID 173129747) is methyl 2-chloro-6-(2-ethoxyethenyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-chloro-6-(2-ethoxyethenyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-chloro-6-(2-ethoxyethenyl)pyridine-4-carboxylate is CCOC=Cc1cc(C(=O)OC)cc(Cl)n1.
What is the InChIKey of methyl 2-chloro-6-(2-ethoxyethenyl)pyridine-4-carboxylate?
The InChIKey is QSNBQEROCCEQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-3-16-5-4-9-6-8(11(14)15-2)7-10(12)13-9/h4-7H,3H2,1-2H3.
What are the key properties of methyl 2-chloro-6-(2-ethoxyethenyl)pyridine-4-carboxylate?
methyl 2-chloro-6-(2-ethoxyethenyl)pyridine-4-carboxylate has a molecular weight of 241.67 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-6-(2-ethoxyethenyl)pyridine-4-carboxylate is sourced from PubChem (CID 173129747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).