5-(6-amino-4-methyl-3-pyridinyl)furan-2-carboxylic acid

C11H10N2O3 — CID 18801340

IUPAC5-(6-amino-4-methyl-3-pyridinyl)furan-2-carboxylic acid
SMILESCc1cc(N)ncc1-c1ccc(C(=O)O)o1
InChIInChI=1S/C11H10N2O3/c1-6-4-10(12)13-5-7(6)8-2-3-9(16-8)11(14)15/h2-5H,1H3,(H2,12,13)(H,14,15)
InChIKeyODJYCLSJASXKMO-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.93
Rot. Bonds2

About 5-(6-amino-4-methyl-3-pyridinyl)furan-2-carboxylic acid

5-(6-amino-4-methyl-3-pyridinyl)furan-2-carboxylic acid (PubChem CID 18801340) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 5-(6-amino-4-methyl-3-pyridinyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(6-amino-4-methyl-3-pyridinyl)furan-2-carboxylic acid
PubChem CID18801340
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name5-(6-amino-4-methyl-3-pyridinyl)furan-2-carboxylic acid
SMILESCc1cc(N)ncc1-c1ccc(C(=O)O)o1
InChIInChI=1S/C11H10N2O3/c1-6-4-10(12)13-5-7(6)8-2-3-9(16-8)11(14)15/h2-5H,1H3,(H2,12,13)(H,14,15)
InChIKeyODJYCLSJASXKMO-UHFFFAOYSA-N
XLogP1.93
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-4-methyl-3-pyridinyl)furan-2-carboxylic acid?
The IUPAC name of 5-(6-amino-4-methyl-3-pyridinyl)furan-2-carboxylic acid (CID 18801340) is 5-(6-amino-4-methyl-3-pyridinyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(6-amino-4-methyl-3-pyridinyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(6-amino-4-methyl-3-pyridinyl)furan-2-carboxylic acid is Cc1cc(N)ncc1-c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(6-amino-4-methyl-3-pyridinyl)furan-2-carboxylic acid?
The InChIKey is ODJYCLSJASXKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-6-4-10(12)13-5-7(6)8-2-3-9(16-8)11(14)15/h2-5H,1H3,(H2,12,13)(H,14,15).
What are the key properties of 5-(6-amino-4-methyl-3-pyridinyl)furan-2-carboxylic acid?
5-(6-amino-4-methyl-3-pyridinyl)furan-2-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-4-methyl-3-pyridinyl)furan-2-carboxylic acid is sourced from PubChem (CID 18801340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).