(4-methyl-3-pyridinyl) propanoate

C9H11NO2 — CID 175779158

IUPAC(4-methyl-3-pyridinyl) propanoate
SMILESCCC(=O)Oc1cnccc1C
InChIInChI=1S/C9H11NO2/c1-3-9(11)12-8-6-10-5-4-7(8)2/h4-6H,3H2,1-2H3
InChIKeyOPFMRBRWCSTZNV-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.71
Rot. Bonds2

About (4-methyl-3-pyridinyl) propanoate

(4-methyl-3-pyridinyl) propanoate (PubChem CID 175779158) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is (4-methyl-3-pyridinyl) propanoate.

Molecular Properties

Compound Name(4-methyl-3-pyridinyl) propanoate
PubChem CID175779158
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name(4-methyl-3-pyridinyl) propanoate
SMILESCCC(=O)Oc1cnccc1C
InChIInChI=1S/C9H11NO2/c1-3-9(11)12-8-6-10-5-4-7(8)2/h4-6H,3H2,1-2H3
InChIKeyOPFMRBRWCSTZNV-UHFFFAOYSA-N
XLogP1.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-ethoxy-2-oxoethyl)-3-pyridinyl] propanoate
CID 156905483
(3-phenoxy-4-pyridinyl) propanoate
CID 19755132
(5-chloro-2-methylphenyl) propanoate
CID 131155608
(3-hydroxy-2-methyl-4-pyridinyl) propanoate
CID 90934797
(Z)-2-ethyl-1-(4-methyl-3-pyridinyl)but-2-en-1-one
CID 103447311
2-(4-methyl-3-pyridinyl)butanamide
CID 67406036
1-[3-(2-methylpropoxy)-4-pyridinyl]propan-1-one
CID 174637541
(5-bromo-3-methyl-2-pyridinyl) propanoate
CID 150932448
phenyl propanoate
CID 161258381
2-propanoyloxybenzoate
CID 23200401
ethyl 3-(4-ethoxy-3-pyridinyl)-3-oxopropanoate
CID 131852523
6-[(4-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxylic acid
CID 150138624

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-pyridinyl) propanoate?
The IUPAC name of (4-methyl-3-pyridinyl) propanoate (CID 175779158) is (4-methyl-3-pyridinyl) propanoate.
What is the SMILES notation for (4-methyl-3-pyridinyl) propanoate?
The canonical SMILES for (4-methyl-3-pyridinyl) propanoate is CCC(=O)Oc1cnccc1C.
What is the InChIKey of (4-methyl-3-pyridinyl) propanoate?
The InChIKey is OPFMRBRWCSTZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-3-9(11)12-8-6-10-5-4-7(8)2/h4-6H,3H2,1-2H3.
What are the key properties of (4-methyl-3-pyridinyl) propanoate?
(4-methyl-3-pyridinyl) propanoate has a molecular weight of 165.19 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-pyridinyl) propanoate is sourced from PubChem (CID 175779158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).