5-(3,5-dichlorophenyl)-1H-indole-3-carboxylic acid

C15H9Cl2NO2 — CID 172654759

IUPAC5-(3,5-dichlorophenyl)-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2ccc(-c3cc(Cl)cc(Cl)c3)cc12
InChIInChI=1S/C15H9Cl2NO2/c16-10-3-9(4-11(17)6-10)8-1-2-14-12(5-8)13(7-18-14)15(19)20/h1-7,18H,(H,19,20)
InChIKeyWKBJVZWWXCPEKZ-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.84
Rot. Bonds2

About 5-(3,5-dichlorophenyl)-1H-indole-3-carboxylic acid

5-(3,5-dichlorophenyl)-1H-indole-3-carboxylic acid (PubChem CID 172654759) has the molecular formula C15H9Cl2NO2 and a molecular weight of 306.15 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-1H-indole-3-carboxylic acid
PubChem CID172654759
Molecular FormulaC15H9Cl2NO2
Molecular Weight306.15 g/mol
Exact Mass305.00
IUPAC Name5-(3,5-dichlorophenyl)-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2ccc(-c3cc(Cl)cc(Cl)c3)cc12
InChIInChI=1S/C15H9Cl2NO2/c16-10-3-9(4-11(17)6-10)8-1-2-14-12(5-8)13(7-18-14)15(19)20/h1-7,18H,(H,19,20)
InChIKeyWKBJVZWWXCPEKZ-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

5-(4-chlorophenyl)-1H-indole-3-carboxylic acid
CID 82306175
5-(4-methylphenyl)-1H-indole-3-carboxylic acid
CID 82297777
2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 22485718
6-chloro-5-(4-methylphenyl)-1H-indole-3-carboxylic acid
CID 86698689
methyl 5-[4-(2,6-dimethoxyphenyl)phenyl]-1H-indole-3-carboxylate
CID 90353210
8-(3,5-dichlorophenyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 134498075
4-(3,5-dichlorophenyl)-1H-pyrrole-3-carboxylic acid
CID 60789782
(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430906
6-(2-chlorophenyl)-1H-indole-3-carboxylic acid
CID 82306172
6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid
CID 71767830
4-oxo-6-thiophen-2-yl-1H-quinoline-3-carboxylic acid
CID 70686353
4-bromo-6-chloro-1H-indole-3-carboxylic acid
CID 118644730

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-1H-indole-3-carboxylic acid?
The IUPAC name of 5-(3,5-dichlorophenyl)-1H-indole-3-carboxylic acid (CID 172654759) is 5-(3,5-dichlorophenyl)-1H-indole-3-carboxylic acid.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-1H-indole-3-carboxylic acid?
The canonical SMILES for 5-(3,5-dichlorophenyl)-1H-indole-3-carboxylic acid is O=C(O)c1c[nH]c2ccc(-c3cc(Cl)cc(Cl)c3)cc12.
What is the InChIKey of 5-(3,5-dichlorophenyl)-1H-indole-3-carboxylic acid?
The InChIKey is WKBJVZWWXCPEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO2/c16-10-3-9(4-11(17)6-10)8-1-2-14-12(5-8)13(7-18-14)15(19)20/h1-7,18H,(H,19,20).
What are the key properties of 5-(3,5-dichlorophenyl)-1H-indole-3-carboxylic acid?
5-(3,5-dichlorophenyl)-1H-indole-3-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-(3,5-dichlorophenyl)-1H-indole-3-carboxylic acid is sourced from PubChem (CID 172654759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).