5,7-dichloro-3-phenyl-1H-indole-2-carboxylic acid

C15H9Cl2NO2 — CID 94830117

IUPAC5,7-dichloro-3-phenyl-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C15H9Cl2NO2/c16-9-6-10-12(8-4-2-1-3-5-8)14(15(19)20)18-13(10)11(17)7-9/h1-7,18H,(H,19,20)
InChIKeyDOEDHZFENDCFAJ-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.84
Rot. Bonds2

About 5,7-dichloro-3-phenyl-1H-indole-2-carboxylic acid

5,7-dichloro-3-phenyl-1H-indole-2-carboxylic acid (PubChem CID 94830117) has the molecular formula C15H9Cl2NO2 and a molecular weight of 306.15 g/mol. Its IUPAC name is 5,7-dichloro-3-phenyl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5,7-dichloro-3-phenyl-1H-indole-2-carboxylic acid
PubChem CID94830117
Molecular FormulaC15H9Cl2NO2
Molecular Weight306.15 g/mol
Exact Mass305.00
IUPAC Name5,7-dichloro-3-phenyl-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C15H9Cl2NO2/c16-9-6-10-12(8-4-2-1-3-5-8)14(15(19)20)18-13(10)11(17)7-9/h1-7,18H,(H,19,20)
InChIKeyDOEDHZFENDCFAJ-UHFFFAOYSA-N
XLogP4.84
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

7-fluoro-3-phenyl-1H-indole-2-carboxylic acid
CID 70139049
methyl 7-chloro-3-phenyl-1H-indole-2-carboxylate
CID 166475893
[4-[[(5,7-dichloro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3,4,5-trimethoxybenzoate
CID 126401598
3-(3-fluorophenyl)-1H-indole-2-carboxylic acid
CID 82120262
6-chloro-3-(4-fluorophenyl)-1H-indole-2-carboxylic acid
CID 10469448
6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
3-bromo-7-chloro-1H-indole-2-carboxylic acid
CID 84810523
[4-bromo-2-[[(5,7-dichloro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 5-chloro-2-methoxybenzoate
CID 126400316
[2-[[(5-bromo-7-chloro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 126402032
7-chloro-3-cyclopropyl-1H-indole-2-carboxylic acid
CID 166475916
[4-[[(5,7-dichloro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-diethoxybenzoate
CID 126402331
5-chloro-6-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 162652710

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-phenyl-1H-indole-2-carboxylic acid?
The IUPAC name of 5,7-dichloro-3-phenyl-1H-indole-2-carboxylic acid (CID 94830117) is 5,7-dichloro-3-phenyl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5,7-dichloro-3-phenyl-1H-indole-2-carboxylic acid?
The canonical SMILES for 5,7-dichloro-3-phenyl-1H-indole-2-carboxylic acid is O=C(O)c1[nH]c2c(Cl)cc(Cl)cc2c1-c1ccccc1.
What is the InChIKey of 5,7-dichloro-3-phenyl-1H-indole-2-carboxylic acid?
The InChIKey is DOEDHZFENDCFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO2/c16-9-6-10-12(8-4-2-1-3-5-8)14(15(19)20)18-13(10)11(17)7-9/h1-7,18H,(H,19,20).
What are the key properties of 5,7-dichloro-3-phenyl-1H-indole-2-carboxylic acid?
5,7-dichloro-3-phenyl-1H-indole-2-carboxylic acid has a molecular weight of 306.15 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-phenyl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 94830117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).