2-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-pyran-5-carboxylic acid

C12H13NO3 — CID 118366583

IUPAC2-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-pyran-5-carboxylic acid
SMILESCc1cc(C2CCC(C(=O)O)=CO2)ccn1
InChIInChI=1S/C12H13NO3/c1-8-6-9(4-5-13-8)11-3-2-10(7-16-11)12(14)15/h4-7,11H,2-3H2,1H3,(H,14,15)
InChIKeyJJKBAMPJRNCMHY-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.21
Rot. Bonds2

About 2-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-pyran-5-carboxylic acid

2-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-pyran-5-carboxylic acid (PubChem CID 118366583) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-pyran-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-pyran-5-carboxylic acid
PubChem CID118366583
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-pyran-5-carboxylic acid
SMILESCc1cc(C2CCC(C(=O)O)=CO2)ccn1
InChIInChI=1S/C12H13NO3/c1-8-6-9(4-5-13-8)11-3-2-10(7-16-11)12(14)15/h4-7,11H,2-3H2,1H3,(H,14,15)
InChIKeyJJKBAMPJRNCMHY-UHFFFAOYSA-N
XLogP2.21
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-pyran-5-carboxylic acid?
The IUPAC name of 2-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-pyran-5-carboxylic acid (CID 118366583) is 2-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-pyran-5-carboxylic acid.
What is the SMILES notation for 2-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-pyran-5-carboxylic acid?
The canonical SMILES for 2-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-pyran-5-carboxylic acid is Cc1cc(C2CCC(C(=O)O)=CO2)ccn1.
What is the InChIKey of 2-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-pyran-5-carboxylic acid?
The InChIKey is JJKBAMPJRNCMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8-6-9(4-5-13-8)11-3-2-10(7-16-11)12(14)15/h4-7,11H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-pyran-5-carboxylic acid?
2-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-pyran-5-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-pyran-5-carboxylic acid is sourced from PubChem (CID 118366583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).