4-(3-amino-5-chloroindol-1-yl)benzoic acid

C15H11ClN2O2 — CID 71094157

IUPAC4-(3-amino-5-chloroindol-1-yl)benzoic acid
SMILESNc1cn(-c2ccc(C(=O)O)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C15H11ClN2O2/c16-10-3-6-14-12(7-10)13(17)8-18(14)11-4-1-9(2-5-11)15(19)20/h1-8H,17H2,(H,19,20)
InChIKeyUJDOAUAJZKLYCC-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.56
Rot. Bonds2

About 4-(3-amino-5-chloroindol-1-yl)benzoic acid

4-(3-amino-5-chloroindol-1-yl)benzoic acid (PubChem CID 71094157) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 4-(3-amino-5-chloroindol-1-yl)benzoic acid.

Molecular Properties

Compound Name4-(3-amino-5-chloroindol-1-yl)benzoic acid
PubChem CID71094157
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name4-(3-amino-5-chloroindol-1-yl)benzoic acid
SMILESNc1cn(-c2ccc(C(=O)O)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C15H11ClN2O2/c16-10-3-6-14-12(7-10)13(17)8-18(14)11-4-1-9(2-5-11)15(19)20/h1-8H,17H2,(H,19,20)
InChIKeyUJDOAUAJZKLYCC-UHFFFAOYSA-N
XLogP3.56
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-chloroindol-1-yl)benzoic acid?
The IUPAC name of 4-(3-amino-5-chloroindol-1-yl)benzoic acid (CID 71094157) is 4-(3-amino-5-chloroindol-1-yl)benzoic acid.
What is the SMILES notation for 4-(3-amino-5-chloroindol-1-yl)benzoic acid?
The canonical SMILES for 4-(3-amino-5-chloroindol-1-yl)benzoic acid is Nc1cn(-c2ccc(C(=O)O)cc2)c2ccc(Cl)cc12.
What is the InChIKey of 4-(3-amino-5-chloroindol-1-yl)benzoic acid?
The InChIKey is UJDOAUAJZKLYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-10-3-6-14-12(7-10)13(17)8-18(14)11-4-1-9(2-5-11)15(19)20/h1-8H,17H2,(H,19,20).
What are the key properties of 4-(3-amino-5-chloroindol-1-yl)benzoic acid?
4-(3-amino-5-chloroindol-1-yl)benzoic acid has a molecular weight of 286.72 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-chloroindol-1-yl)benzoic acid is sourced from PubChem (CID 71094157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).