methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate

C11H15NO2 — CID 130210234

IUPACmethyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)c(C(C)C)cn1
InChIInChI=1S/C11H15NO2/c1-7(2)9-6-12-10(5-8(9)3)11(13)14-4/h5-7H,1-4H3
InChIKeyXHFMJMFBUYYGJF-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.30
Rot. Bonds2

About methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate

methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate (PubChem CID 130210234) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate
PubChem CID130210234
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)c(C(C)C)cn1
InChIInChI=1S/C11H15NO2/c1-7(2)9-6-12-10(5-8(9)3)11(13)14-4/h5-7H,1-4H3
InChIKeyXHFMJMFBUYYGJF-UHFFFAOYSA-N
XLogP2.30
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate?
The IUPAC name of methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate (CID 130210234) is methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate is COC(=O)c1cc(C)c(C(C)C)cn1.
What is the InChIKey of methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate?
The InChIKey is XHFMJMFBUYYGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7(2)9-6-12-10(5-8(9)3)11(13)14-4/h5-7H,1-4H3.
What are the key properties of methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate?
methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate has a molecular weight of 193.25 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-5-propan-2-ylpyridine-2-carboxylate is sourced from PubChem (CID 130210234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).