2-chloro-1-(cyclopropylmethoxy)indole-6-carboxylic acid

C13H12ClNO3 — CID 69216276

IUPAC2-chloro-1-(cyclopropylmethoxy)indole-6-carboxylic acid
SMILESO=C(O)c1ccc2cc(Cl)n(OCC3CC3)c2c1
InChIInChI=1S/C13H12ClNO3/c14-12-6-9-3-4-10(13(16)17)5-11(9)15(12)18-7-8-1-2-8/h3-6,8H,1-2,7H2,(H,16,17)
InChIKeyAEGCENSNRKNQOG-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.83
Rot. Bonds4

About 2-chloro-1-(cyclopropylmethoxy)indole-6-carboxylic acid

2-chloro-1-(cyclopropylmethoxy)indole-6-carboxylic acid (PubChem CID 69216276) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-chloro-1-(cyclopropylmethoxy)indole-6-carboxylic acid.

Molecular Properties

Compound Name2-chloro-1-(cyclopropylmethoxy)indole-6-carboxylic acid
PubChem CID69216276
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Name2-chloro-1-(cyclopropylmethoxy)indole-6-carboxylic acid
SMILESO=C(O)c1ccc2cc(Cl)n(OCC3CC3)c2c1
InChIInChI=1S/C13H12ClNO3/c14-12-6-9-3-4-10(13(16)17)5-11(9)15(12)18-7-8-1-2-8/h3-6,8H,1-2,7H2,(H,16,17)
InChIKeyAEGCENSNRKNQOG-UHFFFAOYSA-N
XLogP2.83
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(cyclopropylmethoxy)indole-6-carboxylic acid?
The IUPAC name of 2-chloro-1-(cyclopropylmethoxy)indole-6-carboxylic acid (CID 69216276) is 2-chloro-1-(cyclopropylmethoxy)indole-6-carboxylic acid.
What is the SMILES notation for 2-chloro-1-(cyclopropylmethoxy)indole-6-carboxylic acid?
The canonical SMILES for 2-chloro-1-(cyclopropylmethoxy)indole-6-carboxylic acid is O=C(O)c1ccc2cc(Cl)n(OCC3CC3)c2c1.
What is the InChIKey of 2-chloro-1-(cyclopropylmethoxy)indole-6-carboxylic acid?
The InChIKey is AEGCENSNRKNQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c14-12-6-9-3-4-10(13(16)17)5-11(9)15(12)18-7-8-1-2-8/h3-6,8H,1-2,7H2,(H,16,17).
What are the key properties of 2-chloro-1-(cyclopropylmethoxy)indole-6-carboxylic acid?
2-chloro-1-(cyclopropylmethoxy)indole-6-carboxylic acid has a molecular weight of 265.70 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(cyclopropylmethoxy)indole-6-carboxylic acid is sourced from PubChem (CID 69216276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).