pyridin-3-ylmethyl 4-methylpentanoate

C12H17NO2 — CID 14009314

IUPACpyridin-3-ylmethyl 4-methylpentanoate
SMILESCC(C)CCC(=O)OCc1cccnc1
InChIInChI=1S/C12H17NO2/c1-10(2)5-6-12(14)15-9-11-4-3-7-13-8-11/h3-4,7-8,10H,5-6,9H2,1-2H3
InChIKeyBTZVIEPPMAHNOJ-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.56
Rot. Bonds5

About pyridin-3-ylmethyl 4-methylpentanoate

pyridin-3-ylmethyl 4-methylpentanoate (PubChem CID 14009314) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is pyridin-3-ylmethyl 4-methylpentanoate.

Molecular Properties

Compound Namepyridin-3-ylmethyl 4-methylpentanoate
PubChem CID14009314
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namepyridin-3-ylmethyl 4-methylpentanoate
SMILESCC(C)CCC(=O)OCc1cccnc1
InChIInChI=1S/C12H17NO2/c1-10(2)5-6-12(14)15-9-11-4-3-7-13-8-11/h3-4,7-8,10H,5-6,9H2,1-2H3
InChIKeyBTZVIEPPMAHNOJ-UHFFFAOYSA-N
XLogP2.56
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

pyridin-3-ylmethyl 4,8,12-trimethyltridecanoate
CID 91700200
pyridin-3-ylmethyl 24-methylpentacosanoate
CID 91704198
pyridin-3-ylmethyl 9-methyltetradecanoate
CID 91700055
pyridin-3-ylmethyl hexatetracontanoate
CID 102180878
pyridin-3-ylmethyl (3S)-3-(aminomethyl)-5-methylhexanoate
CID 122155433
pyridin-3-ylmethyl 18-fluorooctadecanoate
CID 91704219
pyridin-3-ylmethyl 2-propylpentanoate
CID 10243172
pyridin-3-ylmethyl 2-ethylbutanoate
CID 78841882
pyridin-3-ylmethyl (2S)-2-amino-2-hydroxy-3-methylbutanoate
CID 140969676
7-methyl-1-pyridin-3-yloctan-4-one
CID 70095682
2,4-dimethyl-5-oxo-5-(pyridin-3-ylmethoxy)pentanoic acid
CID 70449179
pyridin-3-ylmethyl dec-9-enoate
CID 91700049

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl 4-methylpentanoate?
The IUPAC name of pyridin-3-ylmethyl 4-methylpentanoate (CID 14009314) is pyridin-3-ylmethyl 4-methylpentanoate.
What is the SMILES notation for pyridin-3-ylmethyl 4-methylpentanoate?
The canonical SMILES for pyridin-3-ylmethyl 4-methylpentanoate is CC(C)CCC(=O)OCc1cccnc1.
What is the InChIKey of pyridin-3-ylmethyl 4-methylpentanoate?
The InChIKey is BTZVIEPPMAHNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(2)5-6-12(14)15-9-11-4-3-7-13-8-11/h3-4,7-8,10H,5-6,9H2,1-2H3.
What are the key properties of pyridin-3-ylmethyl 4-methylpentanoate?
pyridin-3-ylmethyl 4-methylpentanoate has a molecular weight of 207.27 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl 4-methylpentanoate is sourced from PubChem (CID 14009314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).