(3-hydroxy-2-methyl-4-pyridinyl) propanoate

C9H11NO3 — CID 90934797

IUPAC(3-hydroxy-2-methyl-4-pyridinyl) propanoate
SMILESCCC(=O)Oc1ccnc(C)c1O
InChIInChI=1S/C9H11NO3/c1-3-8(11)13-7-4-5-10-6(2)9(7)12/h4-5,12H,3H2,1-2H3
InChIKeyYSTZJYWIFRTDFT-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.41
Rot. Bonds2

About (3-hydroxy-2-methyl-4-pyridinyl) propanoate

(3-hydroxy-2-methyl-4-pyridinyl) propanoate (PubChem CID 90934797) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is (3-hydroxy-2-methyl-4-pyridinyl) propanoate.

Molecular Properties

Compound Name(3-hydroxy-2-methyl-4-pyridinyl) propanoate
PubChem CID90934797
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name(3-hydroxy-2-methyl-4-pyridinyl) propanoate
SMILESCCC(=O)Oc1ccnc(C)c1O
InChIInChI=1S/C9H11NO3/c1-3-8(11)13-7-4-5-10-6(2)9(7)12/h4-5,12H,3H2,1-2H3
InChIKeyYSTZJYWIFRTDFT-UHFFFAOYSA-N
XLogP1.41
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-methyl-4-pyridinyl) propanoate?
The IUPAC name of (3-hydroxy-2-methyl-4-pyridinyl) propanoate (CID 90934797) is (3-hydroxy-2-methyl-4-pyridinyl) propanoate.
What is the SMILES notation for (3-hydroxy-2-methyl-4-pyridinyl) propanoate?
The canonical SMILES for (3-hydroxy-2-methyl-4-pyridinyl) propanoate is CCC(=O)Oc1ccnc(C)c1O.
What is the InChIKey of (3-hydroxy-2-methyl-4-pyridinyl) propanoate?
The InChIKey is YSTZJYWIFRTDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-3-8(11)13-7-4-5-10-6(2)9(7)12/h4-5,12H,3H2,1-2H3.
What are the key properties of (3-hydroxy-2-methyl-4-pyridinyl) propanoate?
(3-hydroxy-2-methyl-4-pyridinyl) propanoate has a molecular weight of 181.19 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-methyl-4-pyridinyl) propanoate is sourced from PubChem (CID 90934797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).