6-chloro-3-(4-fluorophenyl)-1H-indole-2-carboxylic acid

C15H9ClFNO2 — CID 10469448

IUPAC6-chloro-3-(4-fluorophenyl)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2cc(Cl)ccc2c1-c1ccc(F)cc1
InChIInChI=1S/C15H9ClFNO2/c16-9-3-6-11-12(7-9)18-14(15(19)20)13(11)8-1-4-10(17)5-2-8/h1-7,18H,(H,19,20)
InChIKeyXCZNSFARPZLNGF-UHFFFAOYSA-N
MW289.69 g/mol
LogP4.33
Rot. Bonds2

About 6-chloro-3-(4-fluorophenyl)-1H-indole-2-carboxylic acid

6-chloro-3-(4-fluorophenyl)-1H-indole-2-carboxylic acid (PubChem CID 10469448) has the molecular formula C15H9ClFNO2 and a molecular weight of 289.69 g/mol. Its IUPAC name is 6-chloro-3-(4-fluorophenyl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-(4-fluorophenyl)-1H-indole-2-carboxylic acid
PubChem CID10469448
Molecular FormulaC15H9ClFNO2
Molecular Weight289.69 g/mol
Exact Mass289.03
IUPAC Name6-chloro-3-(4-fluorophenyl)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2cc(Cl)ccc2c1-c1ccc(F)cc1
InChIInChI=1S/C15H9ClFNO2/c16-9-3-6-11-12(7-9)18-14(15(19)20)13(11)8-1-4-10(17)5-2-8/h1-7,18H,(H,19,20)
InChIKeyXCZNSFARPZLNGF-UHFFFAOYSA-N
XLogP4.33
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-3-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid
CID 115043325
5-chloro-3-fluoro-1H-indole-2-carboxylic acid
CID 22934792
7-chloro-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 82243483
3-(3-fluorophenyl)-1H-indole-2-carboxylic acid
CID 82120262
6-chloro-3-[[3-(3-fluorophenyl)-3-oxopropyl]amino]-1H-indole-2-carboxylic acid
CID 57219484
6-chloro-3-(3-hydroxypropyl)-1H-indole-2-carboxylic acid
CID 90083235
5-chloro-6-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 162652710
3-bromo-5-(4-fluorophenyl)-1H-indole-2-carboxylic acid
CID 135324691
5,7-dichloro-3-phenyl-1H-indole-2-carboxylic acid
CID 94830117
methyl 6-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylate
CID 135386772
4-[2-[[(2R)-2,5-diaminopentyl]carbamoyl]-6-(4-fluorophenyl)-1H-indol-3-yl]benzoic acid
CID 137385206
N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 21014526

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-fluorophenyl)-1H-indole-2-carboxylic acid?
The IUPAC name of 6-chloro-3-(4-fluorophenyl)-1H-indole-2-carboxylic acid (CID 10469448) is 6-chloro-3-(4-fluorophenyl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-chloro-3-(4-fluorophenyl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-chloro-3-(4-fluorophenyl)-1H-indole-2-carboxylic acid is O=C(O)c1[nH]c2cc(Cl)ccc2c1-c1ccc(F)cc1.
What is the InChIKey of 6-chloro-3-(4-fluorophenyl)-1H-indole-2-carboxylic acid?
The InChIKey is XCZNSFARPZLNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO2/c16-9-3-6-11-12(7-9)18-14(15(19)20)13(11)8-1-4-10(17)5-2-8/h1-7,18H,(H,19,20).
What are the key properties of 6-chloro-3-(4-fluorophenyl)-1H-indole-2-carboxylic acid?
6-chloro-3-(4-fluorophenyl)-1H-indole-2-carboxylic acid has a molecular weight of 289.69 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-fluorophenyl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 10469448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).