pyridin-2-ylmethyl 2,2-dimethylpentanoate

C13H19NO2 — CID 3053080

IUPACpyridin-2-ylmethyl 2,2-dimethylpentanoate
SMILESCCCC(C)(C)C(=O)OCc1ccccn1
InChIInChI=1S/C13H19NO2/c1-4-8-13(2,3)12(15)16-10-11-7-5-6-9-14-11/h5-7,9H,4,8,10H2,1-3H3
InChIKeyGQSIQAMPQMXKSR-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.95
Rot. Bonds5

About pyridin-2-ylmethyl 2,2-dimethylpentanoate

pyridin-2-ylmethyl 2,2-dimethylpentanoate (PubChem CID 3053080) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is pyridin-2-ylmethyl 2,2-dimethylpentanoate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 2,2-dimethylpentanoate
PubChem CID3053080
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namepyridin-2-ylmethyl 2,2-dimethylpentanoate
SMILESCCCC(C)(C)C(=O)OCc1ccccn1
InChIInChI=1S/C13H19NO2/c1-4-8-13(2,3)12(15)16-10-11-7-5-6-9-14-11/h5-7,9H,4,8,10H2,1-3H3
InChIKeyGQSIQAMPQMXKSR-UHFFFAOYSA-N
XLogP2.95
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,2-dimethyl-6-[4-[5-(pyridin-2-ylmethoxy)pentoxy]phenoxy]hexanoate
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bis(pyridin-2-ylmethyl) (2S,3S)-2,3-dipropylbutanedioate
CID 102384710
pyridin-2-ylmethyl 3,3-dimethyl-2-methylidenebutanoate
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pyridin-2-ylmethyl N,N-bis(sulfanyl)carbamate
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pyridin-2-ylmethyl 2-aminopropanoate
CID 83529934
2,2-dimethyl-N-(pyridin-2-ylmethoxy)propanamide
CID 86795436
2-methyl-2-(pyridin-2-ylmethyl)pentanoic acid
CID 79426104
pyridin-2-ylmethyl 2-trimethylsilylpropanoate
CID 11962005
2,2-bis(pyridin-2-ylmethyl)pentanoic acid
CID 67287771
N-(pyridin-2-ylmethoxy)butanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 2,2-dimethylpentanoate?
The IUPAC name of pyridin-2-ylmethyl 2,2-dimethylpentanoate (CID 3053080) is pyridin-2-ylmethyl 2,2-dimethylpentanoate.
What is the SMILES notation for pyridin-2-ylmethyl 2,2-dimethylpentanoate?
The canonical SMILES for pyridin-2-ylmethyl 2,2-dimethylpentanoate is CCCC(C)(C)C(=O)OCc1ccccn1.
What is the InChIKey of pyridin-2-ylmethyl 2,2-dimethylpentanoate?
The InChIKey is GQSIQAMPQMXKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-8-13(2,3)12(15)16-10-11-7-5-6-9-14-11/h5-7,9H,4,8,10H2,1-3H3.
What are the key properties of pyridin-2-ylmethyl 2,2-dimethylpentanoate?
pyridin-2-ylmethyl 2,2-dimethylpentanoate has a molecular weight of 221.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 2,2-dimethylpentanoate is sourced from PubChem (CID 3053080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).