5-chloro-3-phenyl-1H-indole-2-carboxylic acid

C15H10ClNO2 — CID 2764152

IUPAC5-chloro-3-phenyl-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C15H10ClNO2/c16-10-6-7-12-11(8-10)13(14(17-12)15(18)19)9-4-2-1-3-5-9/h1-8,17H,(H,18,19)
InChIKeyWQRNPWUZAVBEBC-UHFFFAOYSA-N
MW271.70 g/mol
LogP4.19
Rot. Bonds2

About 5-chloro-3-phenyl-1H-indole-2-carboxylic acid

5-chloro-3-phenyl-1H-indole-2-carboxylic acid (PubChem CID 2764152) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is 5-chloro-3-phenyl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-phenyl-1H-indole-2-carboxylic acid
PubChem CID2764152
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name5-chloro-3-phenyl-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C15H10ClNO2/c16-10-6-7-12-11(8-10)13(14(17-12)15(18)19)9-4-2-1-3-5-9/h1-8,17H,(H,18,19)
InChIKeyWQRNPWUZAVBEBC-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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Related Compounds

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CID 2581
Gavestinel
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Indole-2-carboxylic acid
CID 72899
5-Fluoroindole-2-carboxylic acid
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5-Chloro-1H-indole-2-carboxylic acid
CID 82693
5-methyl-1H-indole-2-carboxylic acid
CID 259188
4,6-Dichloro-1H-indole-2-carboxylic acid
CID 127988
Harman-3-Carboxylic Acid
CID 5406157
GV-196771
CID 6913185
4-chloro-1H-indole-2-carboxylic acid
CID 90561
2,3,4,9-tetrahydro-1H-carbazole-6-carboxylic acid
CID 729801
6-Chloro-1H-indole-2-carboxylic acid
CID 85584

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-phenyl-1H-indole-2-carboxylic acid?
The IUPAC name of 5-chloro-3-phenyl-1H-indole-2-carboxylic acid (CID 2764152) is 5-chloro-3-phenyl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-chloro-3-phenyl-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-chloro-3-phenyl-1H-indole-2-carboxylic acid is O=C(O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1.
What is the InChIKey of 5-chloro-3-phenyl-1H-indole-2-carboxylic acid?
The InChIKey is WQRNPWUZAVBEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2/c16-10-6-7-12-11(8-10)13(14(17-12)15(18)19)9-4-2-1-3-5-9/h1-8,17H,(H,18,19).
What are the key properties of 5-chloro-3-phenyl-1H-indole-2-carboxylic acid?
5-chloro-3-phenyl-1H-indole-2-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-chloro-3-phenyl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 2764152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).