6-chloro-5-phenyl-1H-indole-3-carboxylic acid

C15H10ClNO2 — CID 86698573

IUPAC6-chloro-5-phenyl-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(Cl)c(-c3ccccc3)cc12
InChIInChI=1S/C15H10ClNO2/c16-13-7-14-11(12(8-17-14)15(18)19)6-10(13)9-4-2-1-3-5-9/h1-8,17H,(H,18,19)
InChIKeyNMTMNBQXSWYXBH-UHFFFAOYSA-N
MW271.70 g/mol
LogP4.19
Rot. Bonds2

About 6-chloro-5-phenyl-1H-indole-3-carboxylic acid

6-chloro-5-phenyl-1H-indole-3-carboxylic acid (PubChem CID 86698573) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is 6-chloro-5-phenyl-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-phenyl-1H-indole-3-carboxylic acid
PubChem CID86698573
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name6-chloro-5-phenyl-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(Cl)c(-c3ccccc3)cc12
InChIInChI=1S/C15H10ClNO2/c16-13-7-14-11(12(8-17-14)15(18)19)6-10(13)9-4-2-1-3-5-9/h1-8,17H,(H,18,19)
InChIKeyNMTMNBQXSWYXBH-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 6-chloro-5-phenyl-1H-indole-3-carboxylic acid?
The IUPAC name of 6-chloro-5-phenyl-1H-indole-3-carboxylic acid (CID 86698573) is 6-chloro-5-phenyl-1H-indole-3-carboxylic acid.
What is the SMILES notation for 6-chloro-5-phenyl-1H-indole-3-carboxylic acid?
The canonical SMILES for 6-chloro-5-phenyl-1H-indole-3-carboxylic acid is O=C(O)c1c[nH]c2cc(Cl)c(-c3ccccc3)cc12.
What is the InChIKey of 6-chloro-5-phenyl-1H-indole-3-carboxylic acid?
The InChIKey is NMTMNBQXSWYXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2/c16-13-7-14-11(12(8-17-14)15(18)19)6-10(13)9-4-2-1-3-5-9/h1-8,17H,(H,18,19).
What are the key properties of 6-chloro-5-phenyl-1H-indole-3-carboxylic acid?
6-chloro-5-phenyl-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 6-chloro-5-phenyl-1H-indole-3-carboxylic acid is sourced from PubChem (CID 86698573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).