pyridin-2-yl 2,2-dimethylpropanoate

C10H13NO2 — CID 13140422

IUPACpyridin-2-yl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1ccccn1
InChIInChI=1S/C10H13NO2/c1-10(2,3)9(12)13-8-6-4-5-7-11-8/h4-7H,1-3H3
InChIKeyYCKZWZJJWVSHOG-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.03
Rot. Bonds1

About pyridin-2-yl 2,2-dimethylpropanoate

pyridin-2-yl 2,2-dimethylpropanoate (PubChem CID 13140422) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is pyridin-2-yl 2,2-dimethylpropanoate.

Molecular Properties

Compound Namepyridin-2-yl 2,2-dimethylpropanoate
PubChem CID13140422
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namepyridin-2-yl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1ccccn1
InChIInChI=1S/C10H13NO2/c1-10(2,3)9(12)13-8-6-4-5-7-11-8/h4-7H,1-3H3
InChIKeyYCKZWZJJWVSHOG-UHFFFAOYSA-N
XLogP2.03
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methoxypyridine
CID 74201
3-Pyridyl acetate
CID 87289
2-Ethoxypyridine
CID 84499
Allyl 2-pyridyl ether
CID 79906
(6-Methoxypyridin-3-yl)boronic acid
CID 2734368
(2-Methoxypyridin-3-yl)boronic acid
CID 2762709
Butyl 2-pyridyl ether
CID 95701
2-(Trifluoroacetoxy)pyridine
CID 4638214
5-Iodo-2-methoxypyridine
CID 23423786
2-(2-Pyrrolidin-1-yl-ethoxy)-pyridine
CID 44325655
2-(Dodecyloxy)pyridine
CID 96440
2-(2-Pyridyloxy)ethyl(dimethyl)amine
CID 96499

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl 2,2-dimethylpropanoate?
The IUPAC name of pyridin-2-yl 2,2-dimethylpropanoate (CID 13140422) is pyridin-2-yl 2,2-dimethylpropanoate.
What is the SMILES notation for pyridin-2-yl 2,2-dimethylpropanoate?
The canonical SMILES for pyridin-2-yl 2,2-dimethylpropanoate is CC(C)(C)C(=O)Oc1ccccn1.
What is the InChIKey of pyridin-2-yl 2,2-dimethylpropanoate?
The InChIKey is YCKZWZJJWVSHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-10(2,3)9(12)13-8-6-4-5-7-11-8/h4-7H,1-3H3.
What are the key properties of pyridin-2-yl 2,2-dimethylpropanoate?
pyridin-2-yl 2,2-dimethylpropanoate has a molecular weight of 179.22 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl 2,2-dimethylpropanoate is sourced from PubChem (CID 13140422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).