6-(2-chlorophenyl)-1H-indole-3-carboxylic acid

C15H10ClNO2 — CID 82306172

IUPAC6-(2-chlorophenyl)-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(-c3ccccc3Cl)ccc12
InChIInChI=1S/C15H10ClNO2/c16-13-4-2-1-3-10(13)9-5-6-11-12(15(18)19)8-17-14(11)7-9/h1-8,17H,(H,18,19)
InChIKeyDIZSSXBAVROXSX-UHFFFAOYSA-N
MW271.70 g/mol
LogP4.19
Rot. Bonds2

About 6-(2-chlorophenyl)-1H-indole-3-carboxylic acid

6-(2-chlorophenyl)-1H-indole-3-carboxylic acid (PubChem CID 82306172) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-chlorophenyl)-1H-indole-3-carboxylic acid
PubChem CID82306172
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name6-(2-chlorophenyl)-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(-c3ccccc3Cl)ccc12
InChIInChI=1S/C15H10ClNO2/c16-13-4-2-1-3-10(13)9-5-6-11-12(15(18)19)8-17-14(11)7-9/h1-8,17H,(H,18,19)
InChIKeyDIZSSXBAVROXSX-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

6-chloro-5-(4-methylphenyl)-1H-indole-3-carboxylic acid
CID 86698689
7-(5-chloro-2-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 69006677
2-(2-chlorophenyl)-1H-pyrrole-3-carboxylic acid
CID 82392303
5-(2-chlorophenyl)-2-cyanobenzoic acid
CID 174620913
4-(2-chlorophenyl)-2-methoxybenzoic acid
CID 53225805
6-(2-chlorophenyl)-2-methylquinoline-4-carboxylic acid
CID 143413176
6-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole-3-carboxylic acid
CID 129225366
4-[2-(3,4-dicarboxyphenyl)phenyl]phthalic acid
CID 19890142
5-(4-chlorophenyl)-1H-indole-3-carboxylic acid
CID 82306175
6-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1H-indole-3-carboxylic acid
CID 143525142
2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid
CID 79592153
2-[2-chloro-4-(2-chlorophenyl)phenyl]acetic acid
CID 176516186

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-1H-indole-3-carboxylic acid?
The IUPAC name of 6-(2-chlorophenyl)-1H-indole-3-carboxylic acid (CID 82306172) is 6-(2-chlorophenyl)-1H-indole-3-carboxylic acid.
What is the SMILES notation for 6-(2-chlorophenyl)-1H-indole-3-carboxylic acid?
The canonical SMILES for 6-(2-chlorophenyl)-1H-indole-3-carboxylic acid is O=C(O)c1c[nH]c2cc(-c3ccccc3Cl)ccc12.
What is the InChIKey of 6-(2-chlorophenyl)-1H-indole-3-carboxylic acid?
The InChIKey is DIZSSXBAVROXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2/c16-13-4-2-1-3-10(13)9-5-6-11-12(15(18)19)8-17-14(11)7-9/h1-8,17H,(H,18,19).
What are the key properties of 6-(2-chlorophenyl)-1H-indole-3-carboxylic acid?
6-(2-chlorophenyl)-1H-indole-3-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 6-(2-chlorophenyl)-1H-indole-3-carboxylic acid is sourced from PubChem (CID 82306172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).