methyl 5-butylpyridine-2-carboxylate

C11H15NO2 — CID 11116895

IUPACmethyl 5-butylpyridine-2-carboxylate
SMILESCCCCc1ccc(C(=O)OC)nc1
InChIInChI=1S/C11H15NO2/c1-3-4-5-9-6-7-10(12-8-9)11(13)14-2/h6-8H,3-5H2,1-2H3
InChIKeyQHFSYCQAXCWCQO-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.21
Rot. Bonds4

About methyl 5-butylpyridine-2-carboxylate

methyl 5-butylpyridine-2-carboxylate (PubChem CID 11116895) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 5-butylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-butylpyridine-2-carboxylate
PubChem CID11116895
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 5-butylpyridine-2-carboxylate
SMILESCCCCc1ccc(C(=O)OC)nc1
InChIInChI=1S/C11H15NO2/c1-3-4-5-9-6-7-10(12-8-9)11(13)14-2/h6-8H,3-5H2,1-2H3
InChIKeyQHFSYCQAXCWCQO-UHFFFAOYSA-N
XLogP2.21
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-butylpyridine-2-carboxylate?
The IUPAC name of methyl 5-butylpyridine-2-carboxylate (CID 11116895) is methyl 5-butylpyridine-2-carboxylate.
What is the SMILES notation for methyl 5-butylpyridine-2-carboxylate?
The canonical SMILES for methyl 5-butylpyridine-2-carboxylate is CCCCc1ccc(C(=O)OC)nc1.
What is the InChIKey of methyl 5-butylpyridine-2-carboxylate?
The InChIKey is QHFSYCQAXCWCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-4-5-9-6-7-10(12-8-9)11(13)14-2/h6-8H,3-5H2,1-2H3.
What are the key properties of methyl 5-butylpyridine-2-carboxylate?
methyl 5-butylpyridine-2-carboxylate has a molecular weight of 193.25 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-butylpyridine-2-carboxylate is sourced from PubChem (CID 11116895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).