pyridin-2-yl pentaneperoxoate

C10H13NO3 — CID 142775207

IUPACpyridin-2-yl pentaneperoxoate
SMILESCCCCC(=O)OOc1ccccn1
InChIInChI=1S/C10H13NO3/c1-2-3-7-10(12)14-13-9-6-4-5-8-11-9/h4-6,8H,2-3,7H2,1H3
InChIKeyBKGUPQHSKLEQEU-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.11
Rot. Bonds5

About pyridin-2-yl pentaneperoxoate

pyridin-2-yl pentaneperoxoate (PubChem CID 142775207) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is pyridin-2-yl pentaneperoxoate.

Molecular Properties

Compound Namepyridin-2-yl pentaneperoxoate
PubChem CID142775207
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namepyridin-2-yl pentaneperoxoate
SMILESCCCCC(=O)OOc1ccccn1
InChIInChI=1S/C10H13NO3/c1-2-3-7-10(12)14-13-9-6-4-5-8-11-9/h4-6,8H,2-3,7H2,1H3
InChIKeyBKGUPQHSKLEQEU-UHFFFAOYSA-N
XLogP2.11
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

pyridin-2-yl hexadecanoate;hydrochloride
CID 70209736
pyridin-2-yl ethaneperoxoate
CID 87694158
2-butoxypyridine;carbonic acid
CID 159061563
(2-decanoyloxy-1,2-dipyridin-2-ylethenyl) decanoate
CID 54192954
methyl 2-pyridin-2-yloxyacetate
CID 45091085
1-pyridin-2-ylhexan-1-one
CID 556347
pyridin-2-ylmethyl 5-oxooctadecanoate
CID 91700204
[2-(pentanoyloxymethyl)phenyl]methyl pentanoate
CID 122421006
(2-pentanoyloxyphenyl) hexanoate
CID 90024108
(2Z)-2-(pyridin-2-ylmethylidene)hexanal
CID 88508885
2-pyridin-2-yloxypentanoic acid
CID 69474855
N-pyridin-2-yloxypropanamide
CID 22270646

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl pentaneperoxoate?
The IUPAC name of pyridin-2-yl pentaneperoxoate (CID 142775207) is pyridin-2-yl pentaneperoxoate.
What is the SMILES notation for pyridin-2-yl pentaneperoxoate?
The canonical SMILES for pyridin-2-yl pentaneperoxoate is CCCCC(=O)OOc1ccccn1.
What is the InChIKey of pyridin-2-yl pentaneperoxoate?
The InChIKey is BKGUPQHSKLEQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-3-7-10(12)14-13-9-6-4-5-8-11-9/h4-6,8H,2-3,7H2,1H3.
What are the key properties of pyridin-2-yl pentaneperoxoate?
pyridin-2-yl pentaneperoxoate has a molecular weight of 195.22 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl pentaneperoxoate is sourced from PubChem (CID 142775207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).