(111C)methyl 3-pyridin-3-ylpropanoate

C9H11NO2 — CID 11816043

IUPAC(111C)methyl 3-pyridin-3-ylpropanoate
SMILES[11CH3]OC(=O)CCc1cccnc1
InChIInChI=1S/C9H11NO2/c1-12-9(11)5-4-8-3-2-6-10-7-8/h2-3,6-7H,4-5H2,1H3/i1-1
InChIKeyFQRRQPZYIYAPAV-BJUDXGSMSA-N
MW164.19 g/mol
LogP1.19
Rot. Bonds3

About (111C)methyl 3-pyridin-3-ylpropanoate

(111C)methyl 3-pyridin-3-ylpropanoate (PubChem CID 11816043) has the molecular formula C9H11NO2 and a molecular weight of 164.19 g/mol. Its IUPAC name is (111C)methyl 3-pyridin-3-ylpropanoate.

Molecular Properties

Compound Name(111C)methyl 3-pyridin-3-ylpropanoate
PubChem CID11816043
Molecular FormulaC9H11NO2
Molecular Weight164.19 g/mol
Exact Mass164.09
IUPAC Name(111C)methyl 3-pyridin-3-ylpropanoate
SMILES[11CH3]OC(=O)CCc1cccnc1
InChIInChI=1S/C9H11NO2/c1-12-9(11)5-4-8-3-2-6-10-7-8/h2-3,6-7H,4-5H2,1H3/i1-1
InChIKeyFQRRQPZYIYAPAV-BJUDXGSMSA-N
XLogP1.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 115174685
(2,3,5,6-tetrafluorophenyl) 3-pyridin-3-ylpropanoate
CID 166148966
ethyl 3-pyridin-3-ylpropanoate;hydrazine;3-pyridin-3-ylpropanehydrazide
CID 159498879
methyl 3-pyridin-4-ylpropanoate
CID 3704115
methyl 3-pyrimidin-5-ylpropanoate
CID 18470121
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
N-ethoxy-3-pyridin-3-ylpropanamide
CID 60717875
methyl 4-hydroxy-5-[methyl(2-pyridin-3-ylethyl)amino]pentanoate
CID 115123658
[(1S)-1-phenylethyl] 3-pyridin-3-ylpropanoate
CID 101402334
methyl 3-[methyl-(2-pyridin-3-ylacetyl)amino]propanoate
CID 62691426
methyl 4-(2-pyridin-3-ylethyl)benzoate
CID 19419104
2-oxo-4-pyridin-3-ylbutanoic acid
CID 12014964

Frequently Asked Questions

What is the IUPAC name of (111C)methyl 3-pyridin-3-ylpropanoate?
The IUPAC name of (111C)methyl 3-pyridin-3-ylpropanoate (CID 11816043) is (111C)methyl 3-pyridin-3-ylpropanoate.
What is the SMILES notation for (111C)methyl 3-pyridin-3-ylpropanoate?
The canonical SMILES for (111C)methyl 3-pyridin-3-ylpropanoate is [11CH3]OC(=O)CCc1cccnc1.
What is the InChIKey of (111C)methyl 3-pyridin-3-ylpropanoate?
The InChIKey is FQRRQPZYIYAPAV-BJUDXGSMSA-N. The full InChI is InChI=1S/C9H11NO2/c1-12-9(11)5-4-8-3-2-6-10-7-8/h2-3,6-7H,4-5H2,1H3/i1-1.
What are the key properties of (111C)methyl 3-pyridin-3-ylpropanoate?
(111C)methyl 3-pyridin-3-ylpropanoate has a molecular weight of 164.19 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (111C)methyl 3-pyridin-3-ylpropanoate is sourced from PubChem (CID 11816043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).