1-chloro-2-phenylindole-3-carboxylic acid

C15H10ClNO2 — CID 174717674

IUPAC1-chloro-2-phenylindole-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)n(Cl)c2ccccc12
InChIInChI=1S/C15H10ClNO2/c16-17-12-9-5-4-8-11(12)13(15(18)19)14(17)10-6-2-1-3-7-10/h1-9H,(H,18,19)
InChIKeyQNMMBYRTWOCDRB-UHFFFAOYSA-N
MW271.70 g/mol
LogP4.01
Rot. Bonds2

About 1-chloro-2-phenylindole-3-carboxylic acid

1-chloro-2-phenylindole-3-carboxylic acid (PubChem CID 174717674) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is 1-chloro-2-phenylindole-3-carboxylic acid.

Molecular Properties

Compound Name1-chloro-2-phenylindole-3-carboxylic acid
PubChem CID174717674
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name1-chloro-2-phenylindole-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)n(Cl)c2ccccc12
InChIInChI=1S/C15H10ClNO2/c16-17-12-9-5-4-8-11(12)13(15(18)19)14(17)10-6-2-1-3-7-10/h1-9H,(H,18,19)
InChIKeyQNMMBYRTWOCDRB-UHFFFAOYSA-N
XLogP4.01
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-phenylindole-3-carboxylic acid?
The IUPAC name of 1-chloro-2-phenylindole-3-carboxylic acid (CID 174717674) is 1-chloro-2-phenylindole-3-carboxylic acid.
What is the SMILES notation for 1-chloro-2-phenylindole-3-carboxylic acid?
The canonical SMILES for 1-chloro-2-phenylindole-3-carboxylic acid is O=C(O)c1c(-c2ccccc2)n(Cl)c2ccccc12.
What is the InChIKey of 1-chloro-2-phenylindole-3-carboxylic acid?
The InChIKey is QNMMBYRTWOCDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2/c16-17-12-9-5-4-8-11(12)13(15(18)19)14(17)10-6-2-1-3-7-10/h1-9H,(H,18,19).
What are the key properties of 1-chloro-2-phenylindole-3-carboxylic acid?
1-chloro-2-phenylindole-3-carboxylic acid has a molecular weight of 271.70 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-phenylindole-3-carboxylic acid is sourced from PubChem (CID 174717674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).