7-chlorocyclopenta[b]indole-2-carboxylic acid

C12H6ClNO2 — CID 21452674

IUPAC7-chlorocyclopenta[b]indole-2-carboxylic acid
SMILESO=C(O)C1=CC2=c3cc(Cl)ccc3=NC2=C1
InChIInChI=1S/C12H6ClNO2/c13-7-1-2-10-9(5-7)8-3-6(12(15)16)4-11(8)14-10/h1-5H,(H,15,16)
InChIKeyOBPTYQRQZMAQFS-UHFFFAOYSA-N
MW231.64 g/mol
LogP1.03
Rot. Bonds1

About 7-chlorocyclopenta[b]indole-2-carboxylic acid

7-chlorocyclopenta[b]indole-2-carboxylic acid (PubChem CID 21452674) has the molecular formula C12H6ClNO2 and a molecular weight of 231.64 g/mol. Its IUPAC name is 7-chlorocyclopenta[b]indole-2-carboxylic acid.

Molecular Properties

Compound Name7-chlorocyclopenta[b]indole-2-carboxylic acid
PubChem CID21452674
Molecular FormulaC12H6ClNO2
Molecular Weight231.64 g/mol
Exact Mass231.01
IUPAC Name7-chlorocyclopenta[b]indole-2-carboxylic acid
SMILESO=C(O)C1=CC2=c3cc(Cl)ccc3=NC2=C1
InChIInChI=1S/C12H6ClNO2/c13-7-1-2-10-9(5-7)8-3-6(12(15)16)4-11(8)14-10/h1-5H,(H,15,16)
InChIKeyOBPTYQRQZMAQFS-UHFFFAOYSA-N
XLogP1.03
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chlorocyclopenta[b]indole-2-carboxylic acid?
The IUPAC name of 7-chlorocyclopenta[b]indole-2-carboxylic acid (CID 21452674) is 7-chlorocyclopenta[b]indole-2-carboxylic acid.
What is the SMILES notation for 7-chlorocyclopenta[b]indole-2-carboxylic acid?
The canonical SMILES for 7-chlorocyclopenta[b]indole-2-carboxylic acid is O=C(O)C1=CC2=c3cc(Cl)ccc3=NC2=C1.
What is the InChIKey of 7-chlorocyclopenta[b]indole-2-carboxylic acid?
The InChIKey is OBPTYQRQZMAQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClNO2/c13-7-1-2-10-9(5-7)8-3-6(12(15)16)4-11(8)14-10/h1-5H,(H,15,16).
What are the key properties of 7-chlorocyclopenta[b]indole-2-carboxylic acid?
7-chlorocyclopenta[b]indole-2-carboxylic acid has a molecular weight of 231.64 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorocyclopenta[b]indole-2-carboxylic acid is sourced from PubChem (CID 21452674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).