5-(4-chlorophenyl)-1H-indole-3-carboxylic acid

C15H10ClNO2 — CID 82306175

IUPAC5-(4-chlorophenyl)-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2ccc(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C15H10ClNO2/c16-11-4-1-9(2-5-11)10-3-6-14-12(7-10)13(8-17-14)15(18)19/h1-8,17H,(H,18,19)
InChIKeyNMOFQEXUDRHLPJ-UHFFFAOYSA-N
MW271.70 g/mol
LogP4.19
Rot. Bonds2

About 5-(4-chlorophenyl)-1H-indole-3-carboxylic acid

5-(4-chlorophenyl)-1H-indole-3-carboxylic acid (PubChem CID 82306175) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1H-indole-3-carboxylic acid
PubChem CID82306175
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name5-(4-chlorophenyl)-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2ccc(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C15H10ClNO2/c16-11-4-1-9(2-5-11)10-3-6-14-12(7-10)13(8-17-14)15(18)19/h1-8,17H,(H,18,19)
InChIKeyNMOFQEXUDRHLPJ-UHFFFAOYSA-N
XLogP4.19
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1H-indole-3-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-1H-indole-3-carboxylic acid (CID 82306175) is 5-(4-chlorophenyl)-1H-indole-3-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-1H-indole-3-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-1H-indole-3-carboxylic acid is O=C(O)c1c[nH]c2ccc(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of 5-(4-chlorophenyl)-1H-indole-3-carboxylic acid?
The InChIKey is NMOFQEXUDRHLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2/c16-11-4-1-9(2-5-11)10-3-6-14-12(7-10)13(8-17-14)15(18)19/h1-8,17H,(H,18,19).
What are the key properties of 5-(4-chlorophenyl)-1H-indole-3-carboxylic acid?
5-(4-chlorophenyl)-1H-indole-3-carboxylic acid has a molecular weight of 271.70 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1H-indole-3-carboxylic acid is sourced from PubChem (CID 82306175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).