methyl 2-(pyridin-3-ylmethyl)pentanoate

C12H17NO2 — CID 174237588

IUPACmethyl 2-(pyridin-3-ylmethyl)pentanoate
SMILESCCCC(Cc1cccnc1)C(=O)OC
InChIInChI=1S/C12H17NO2/c1-3-5-11(12(14)15-2)8-10-6-4-7-13-9-10/h4,6-7,9,11H,3,5,8H2,1-2H3
InChIKeyPIQHOPOWGAHEQP-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.21
Rot. Bonds5

About methyl 2-(pyridin-3-ylmethyl)pentanoate

methyl 2-(pyridin-3-ylmethyl)pentanoate (PubChem CID 174237588) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl 2-(pyridin-3-ylmethyl)pentanoate.

Molecular Properties

Compound Namemethyl 2-(pyridin-3-ylmethyl)pentanoate
PubChem CID174237588
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl 2-(pyridin-3-ylmethyl)pentanoate
SMILESCCCC(Cc1cccnc1)C(=O)OC
InChIInChI=1S/C12H17NO2/c1-3-5-11(12(14)15-2)8-10-6-4-7-13-9-10/h4,6-7,9,11H,3,5,8H2,1-2H3
InChIKeyPIQHOPOWGAHEQP-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

pyridin-3-ylmethyl 2-propylpentanoate
CID 10243172
ethyl 2-fluoro-3-pyridin-3-ylpropanoate
CID 55265604
diethyl 2-(1-pyridin-3-ylpropan-2-yl)propanedioate
CID 67382967
1-pyridin-3-ylpentan-2-ol
CID 62553061
2-(pyridin-3-ylmethyl)decanoic acid
CID 139906177
3-(aminomethyl)-4-pyridin-3-ylbutan-2-one
CID 86775823
pyridin-3-ylmethyl 2-ethylbutanoate
CID 78841882
methyl (2S)-2-(pyridin-3-ylmethylamino)propanoate
CID 43723601
methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690739
2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate
CID 142428515
2-amino-N-ethyl-3-pyridin-3-ylpropanamide
CID 129276971
methyl 2-(pyridine-3-carbonylamino)pentanoate
CID 123866102

Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyridin-3-ylmethyl)pentanoate?
The IUPAC name of methyl 2-(pyridin-3-ylmethyl)pentanoate (CID 174237588) is methyl 2-(pyridin-3-ylmethyl)pentanoate.
What is the SMILES notation for methyl 2-(pyridin-3-ylmethyl)pentanoate?
The canonical SMILES for methyl 2-(pyridin-3-ylmethyl)pentanoate is CCCC(Cc1cccnc1)C(=O)OC.
What is the InChIKey of methyl 2-(pyridin-3-ylmethyl)pentanoate?
The InChIKey is PIQHOPOWGAHEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-5-11(12(14)15-2)8-10-6-4-7-13-9-10/h4,6-7,9,11H,3,5,8H2,1-2H3.
What are the key properties of methyl 2-(pyridin-3-ylmethyl)pentanoate?
methyl 2-(pyridin-3-ylmethyl)pentanoate has a molecular weight of 207.27 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyridin-3-ylmethyl)pentanoate is sourced from PubChem (CID 174237588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).