5-(2-methyl-1H-indol-6-yl)furan-2-carboxylic acid

C14H11NO3 — CID 142924551

IUPAC5-(2-methyl-1H-indol-6-yl)furan-2-carboxylic acid
SMILESCc1cc2ccc(-c3ccc(C(=O)O)o3)cc2[nH]1
InChIInChI=1S/C14H11NO3/c1-8-6-9-2-3-10(7-11(9)15-8)12-4-5-13(18-12)14(16)17/h2-7,15H,1H3,(H,16,17)
InChIKeyKAUBRWNGXYDDRT-UHFFFAOYSA-N
MW241.25 g/mol
LogP3.43
Rot. Bonds2

About 5-(2-methyl-1H-indol-6-yl)furan-2-carboxylic acid

5-(2-methyl-1H-indol-6-yl)furan-2-carboxylic acid (PubChem CID 142924551) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-(2-methyl-1H-indol-6-yl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methyl-1H-indol-6-yl)furan-2-carboxylic acid
PubChem CID142924551
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name5-(2-methyl-1H-indol-6-yl)furan-2-carboxylic acid
SMILESCc1cc2ccc(-c3ccc(C(=O)O)o3)cc2[nH]1
InChIInChI=1S/C14H11NO3/c1-8-6-9-2-3-10(7-11(9)15-8)12-4-5-13(18-12)14(16)17/h2-7,15H,1H3,(H,16,17)
InChIKeyKAUBRWNGXYDDRT-UHFFFAOYSA-N
XLogP3.43
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1H-indol-6-yl)furan-2-carboxylic acid?
The IUPAC name of 5-(2-methyl-1H-indol-6-yl)furan-2-carboxylic acid (CID 142924551) is 5-(2-methyl-1H-indol-6-yl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-methyl-1H-indol-6-yl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-methyl-1H-indol-6-yl)furan-2-carboxylic acid is Cc1cc2ccc(-c3ccc(C(=O)O)o3)cc2[nH]1.
What is the InChIKey of 5-(2-methyl-1H-indol-6-yl)furan-2-carboxylic acid?
The InChIKey is KAUBRWNGXYDDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-8-6-9-2-3-10(7-11(9)15-8)12-4-5-13(18-12)14(16)17/h2-7,15H,1H3,(H,16,17).
What are the key properties of 5-(2-methyl-1H-indol-6-yl)furan-2-carboxylic acid?
5-(2-methyl-1H-indol-6-yl)furan-2-carboxylic acid has a molecular weight of 241.25 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1H-indol-6-yl)furan-2-carboxylic acid is sourced from PubChem (CID 142924551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).