methyl 2-(5-propan-2-yl-3-pyridinyl)acetate

C11H15NO2 — CID 20824070

IUPACmethyl 2-(5-propan-2-yl-3-pyridinyl)acetate
SMILESCOC(=O)Cc1cncc(C(C)C)c1
InChIInChI=1S/C11H15NO2/c1-8(2)10-4-9(6-12-7-10)5-11(13)14-3/h4,6-8H,5H2,1-3H3
InChIKeyICMGGVUJDILJAT-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.92
Rot. Bonds3

About methyl 2-(5-propan-2-yl-3-pyridinyl)acetate

methyl 2-(5-propan-2-yl-3-pyridinyl)acetate (PubChem CID 20824070) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 2-(5-propan-2-yl-3-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-propan-2-yl-3-pyridinyl)acetate
PubChem CID20824070
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 2-(5-propan-2-yl-3-pyridinyl)acetate
SMILESCOC(=O)Cc1cncc(C(C)C)c1
InChIInChI=1S/C11H15NO2/c1-8(2)10-4-9(6-12-7-10)5-11(13)14-3/h4,6-8H,5H2,1-3H3
InChIKeyICMGGVUJDILJAT-UHFFFAOYSA-N
XLogP1.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(5-chloro-3-pyridinyl)acetate
CID 91594815
methyl 2-[5-(2-phenylethyl)-3-pyridinyl]acetate
CID 177349061
phenyl 3-(5-propan-2-yl-3-pyridinyl)propanoate
CID 157324077
N-[(5-propan-2-yl-3-pyridinyl)methyl]formamide
CID 142430728
methyl 2-[5-(2,6-dimethylphenyl)-3-pyridinyl]acetate
CID 143365947
methyl 3,4-dihydroxy-4-[5-(hydroxymethyl)-3-pyridinyl]butanoate
CID 171895362
methyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
CID 53401501
methyl 2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]acetate
CID 91052509
methyl 2-[6-amino-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134668410
methyl 5-(5-fluoro-3-pyridinyl)-4-oxopentanoate
CID 63899877
3-phenyl-N-[(5-propan-2-yl-3-pyridinyl)methyl]propanamide
CID 138492197
methyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-pyridinyl]acetate
CID 141413882

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-propan-2-yl-3-pyridinyl)acetate?
The IUPAC name of methyl 2-(5-propan-2-yl-3-pyridinyl)acetate (CID 20824070) is methyl 2-(5-propan-2-yl-3-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(5-propan-2-yl-3-pyridinyl)acetate?
The canonical SMILES for methyl 2-(5-propan-2-yl-3-pyridinyl)acetate is COC(=O)Cc1cncc(C(C)C)c1.
What is the InChIKey of methyl 2-(5-propan-2-yl-3-pyridinyl)acetate?
The InChIKey is ICMGGVUJDILJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(2)10-4-9(6-12-7-10)5-11(13)14-3/h4,6-8H,5H2,1-3H3.
What are the key properties of methyl 2-(5-propan-2-yl-3-pyridinyl)acetate?
methyl 2-(5-propan-2-yl-3-pyridinyl)acetate has a molecular weight of 193.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-propan-2-yl-3-pyridinyl)acetate is sourced from PubChem (CID 20824070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).