methyl 2-butyl-6-chloropyridine-4-carboxylate

C11H14ClNO2 — CID 174747407

IUPACmethyl 2-butyl-6-chloropyridine-4-carboxylate
SMILESCCCCc1cc(C(=O)OC)cc(Cl)n1
InChIInChI=1S/C11H14ClNO2/c1-3-4-5-9-6-8(11(14)15-2)7-10(12)13-9/h6-7H,3-5H2,1-2H3
InChIKeyWEJXWSJXQGDGIE-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.86
Rot. Bonds4

About methyl 2-butyl-6-chloropyridine-4-carboxylate

methyl 2-butyl-6-chloropyridine-4-carboxylate (PubChem CID 174747407) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is methyl 2-butyl-6-chloropyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-butyl-6-chloropyridine-4-carboxylate
PubChem CID174747407
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Namemethyl 2-butyl-6-chloropyridine-4-carboxylate
SMILESCCCCc1cc(C(=O)OC)cc(Cl)n1
InChIInChI=1S/C11H14ClNO2/c1-3-4-5-9-6-8(11(14)15-2)7-10(12)13-9/h6-7H,3-5H2,1-2H3
InChIKeyWEJXWSJXQGDGIE-UHFFFAOYSA-N
XLogP2.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-pentylpyridine-4-carboxylic acid
CID 165460314
methyl 2-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxylate
CID 176894230
methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833
ethane;methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 142241895
N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide
CID 113379664
2-chloro-N-(2-methoxyethyl)-N-methyl-6-propylpyridine-4-carboxamide
CID 113379836
methyl 2-chloro-6-ethenylpyridine-4-carboxylate
CID 86081346
methyl 2-(benzylamino)-6-chloropyridine-4-carboxylate
CID 87562356
N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide
CID 113379769
2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide
CID 113379658
methyl 2-chloro-6-(2-ethoxyethenyl)pyridine-4-carboxylate
CID 173129747
methyl 2-chloro-6-(4-methoxyphenyl)pyridine-4-carboxylate
CID 91873021

Frequently Asked Questions

What is the IUPAC name of methyl 2-butyl-6-chloropyridine-4-carboxylate?
The IUPAC name of methyl 2-butyl-6-chloropyridine-4-carboxylate (CID 174747407) is methyl 2-butyl-6-chloropyridine-4-carboxylate.
What is the SMILES notation for methyl 2-butyl-6-chloropyridine-4-carboxylate?
The canonical SMILES for methyl 2-butyl-6-chloropyridine-4-carboxylate is CCCCc1cc(C(=O)OC)cc(Cl)n1.
What is the InChIKey of methyl 2-butyl-6-chloropyridine-4-carboxylate?
The InChIKey is WEJXWSJXQGDGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-3-4-5-9-6-8(11(14)15-2)7-10(12)13-9/h6-7H,3-5H2,1-2H3.
What are the key properties of methyl 2-butyl-6-chloropyridine-4-carboxylate?
methyl 2-butyl-6-chloropyridine-4-carboxylate has a molecular weight of 227.69 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-butyl-6-chloropyridine-4-carboxylate is sourced from PubChem (CID 174747407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).