methyl 2-(6-tert-butyl-2-pyridinyl)acetate

C12H17NO2 — CID 176631988

IUPACmethyl 2-(6-tert-butyl-2-pyridinyl)acetate
SMILESCOC(=O)Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/C12H17NO2/c1-12(2,3)10-7-5-6-9(13-10)8-11(14)15-4/h5-7H,8H2,1-4H3
InChIKeyQWVVGDRMAFHUMN-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.09
Rot. Bonds2

About methyl 2-(6-tert-butyl-2-pyridinyl)acetate

methyl 2-(6-tert-butyl-2-pyridinyl)acetate (PubChem CID 176631988) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl 2-(6-tert-butyl-2-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-tert-butyl-2-pyridinyl)acetate
PubChem CID176631988
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl 2-(6-tert-butyl-2-pyridinyl)acetate
SMILESCOC(=O)Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/C12H17NO2/c1-12(2,3)10-7-5-6-9(13-10)8-11(14)15-4/h5-7H,8H2,1-4H3
InChIKeyQWVVGDRMAFHUMN-UHFFFAOYSA-N
XLogP2.09
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]acetate
CID 90151076
methyl 2-[6-(difluoromethyl)-2-pyridinyl]acetate
CID 134683087
methyl 2-[6-(3-fluoro-3-phosphanylazetidin-1-yl)-2-pyridinyl]acetate
CID 135234223
methyl 2-(1,2-thiazol-3-yl)acetate
CID 71352802
methyl 2-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097135
3-(6-tert-butyl-2-pyridinyl)propane-1,2-diol
CID 20709436
methyl 2-(5-fluoro-6-methoxy-2-pyridinyl)acetate
CID 133097041
methyl 2-(6-bromo-5-methoxy-2-pyridinyl)acetate
CID 133098094
methyl 2-(6-amino-5-bromo-2-pyridinyl)acetate
CID 130681822
2-tert-butyl-6-(2,2,2-trifluoroethoxymethyl)pyridine
CID 20709426
N-[(4-tert-butylphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 68701165
2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 53401513

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-tert-butyl-2-pyridinyl)acetate?
The IUPAC name of methyl 2-(6-tert-butyl-2-pyridinyl)acetate (CID 176631988) is methyl 2-(6-tert-butyl-2-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(6-tert-butyl-2-pyridinyl)acetate?
The canonical SMILES for methyl 2-(6-tert-butyl-2-pyridinyl)acetate is COC(=O)Cc1cccc(C(C)(C)C)n1.
What is the InChIKey of methyl 2-(6-tert-butyl-2-pyridinyl)acetate?
The InChIKey is QWVVGDRMAFHUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,3)10-7-5-6-9(13-10)8-11(14)15-4/h5-7H,8H2,1-4H3.
What are the key properties of methyl 2-(6-tert-butyl-2-pyridinyl)acetate?
methyl 2-(6-tert-butyl-2-pyridinyl)acetate has a molecular weight of 207.27 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-tert-butyl-2-pyridinyl)acetate is sourced from PubChem (CID 176631988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).