2-methyl-5-pyridin-3-ylfuran-3-carboxylic acid

C11H9NO3 — CID 83597575

IUPAC2-methyl-5-pyridin-3-ylfuran-3-carboxylic acid
SMILESCc1oc(-c2cccnc2)cc1C(=O)O
InChIInChI=1S/C11H9NO3/c1-7-9(11(13)14)5-10(15-7)8-3-2-4-12-6-8/h2-6H,1H3,(H,13,14)
InChIKeyKGLSNPGPIVQAAX-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.35
Rot. Bonds2

About 2-methyl-5-pyridin-3-ylfuran-3-carboxylic acid

2-methyl-5-pyridin-3-ylfuran-3-carboxylic acid (PubChem CID 83597575) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-methyl-5-pyridin-3-ylfuran-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-pyridin-3-ylfuran-3-carboxylic acid
PubChem CID83597575
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-methyl-5-pyridin-3-ylfuran-3-carboxylic acid
SMILESCc1oc(-c2cccnc2)cc1C(=O)O
InChIInChI=1S/C11H9NO3/c1-7-9(11(13)14)5-10(15-7)8-3-2-4-12-6-8/h2-6H,1H3,(H,13,14)
InChIKeyKGLSNPGPIVQAAX-UHFFFAOYSA-N
XLogP2.35
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyridin-3-ylfuran-3-carboxylic acid?
The IUPAC name of 2-methyl-5-pyridin-3-ylfuran-3-carboxylic acid (CID 83597575) is 2-methyl-5-pyridin-3-ylfuran-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-pyridin-3-ylfuran-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-pyridin-3-ylfuran-3-carboxylic acid is Cc1oc(-c2cccnc2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-pyridin-3-ylfuran-3-carboxylic acid?
The InChIKey is KGLSNPGPIVQAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-7-9(11(13)14)5-10(15-7)8-3-2-4-12-6-8/h2-6H,1H3,(H,13,14).
What are the key properties of 2-methyl-5-pyridin-3-ylfuran-3-carboxylic acid?
2-methyl-5-pyridin-3-ylfuran-3-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyridin-3-ylfuran-3-carboxylic acid is sourced from PubChem (CID 83597575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).