7-chloro-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid

C16H10Cl3NO2 — CID 22310924

IUPAC7-chloro-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid
SMILESO=C(O)c1cc2cccc(Cl)c2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl3NO2/c17-11-5-4-9(6-13(11)19)8-20-14(16(21)22)7-10-2-1-3-12(18)15(10)20/h1-7H,8H2,(H,21,22)
InChIKeyFWUBYIZVKVARPD-UHFFFAOYSA-N
MW354.62 g/mol
LogP5.35
Rot. Bonds3

About 7-chloro-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid

7-chloro-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid (PubChem CID 22310924) has the molecular formula C16H10Cl3NO2 and a molecular weight of 354.62 g/mol. Its IUPAC name is 7-chloro-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid
PubChem CID22310924
Molecular FormulaC16H10Cl3NO2
Molecular Weight354.62 g/mol
Exact Mass352.98
IUPAC Name7-chloro-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid
SMILESO=C(O)c1cc2cccc(Cl)c2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl3NO2/c17-11-5-4-9(6-13(11)19)8-20-14(16(21)22)7-10-2-1-3-12(18)15(10)20/h1-7H,8H2,(H,21,22)
InChIKeyFWUBYIZVKVARPD-UHFFFAOYSA-N
XLogP5.35
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid?
The IUPAC name of 7-chloro-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid (CID 22310924) is 7-chloro-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid.
What is the SMILES notation for 7-chloro-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid?
The canonical SMILES for 7-chloro-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid is O=C(O)c1cc2cccc(Cl)c2n1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 7-chloro-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid?
The InChIKey is FWUBYIZVKVARPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3NO2/c17-11-5-4-9(6-13(11)19)8-20-14(16(21)22)7-10-2-1-3-12(18)15(10)20/h1-7H,8H2,(H,21,22).
What are the key properties of 7-chloro-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid?
7-chloro-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid has a molecular weight of 354.62 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid is sourced from PubChem (CID 22310924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).