7-chloro-6-fluoro-1-oxo-3,4-dihydro-2H-carbazole-9-carboxylic acid

C13H9ClFNO3 — CID 67363025

IUPAC7-chloro-6-fluoro-1-oxo-3,4-dihydro-2H-carbazole-9-carboxylic acid
SMILESO=C1CCCc2c1n(C(=O)O)c1cc(Cl)c(F)cc21
InChIInChI=1S/C13H9ClFNO3/c14-8-5-10-7(4-9(8)15)6-2-1-3-11(17)12(6)16(10)13(18)19/h4-5H,1-3H2,(H,18,19)
InChIKeyZNCQGANNCBSNFD-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.48
Rot. Bonds

About 7-chloro-6-fluoro-1-oxo-3,4-dihydro-2H-carbazole-9-carboxylic acid

7-chloro-6-fluoro-1-oxo-3,4-dihydro-2H-carbazole-9-carboxylic acid (PubChem CID 67363025) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is 7-chloro-6-fluoro-1-oxo-3,4-dihydro-2H-carbazole-9-carboxylic acid.

Molecular Properties

Compound Name7-chloro-6-fluoro-1-oxo-3,4-dihydro-2H-carbazole-9-carboxylic acid
PubChem CID67363025
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC Name7-chloro-6-fluoro-1-oxo-3,4-dihydro-2H-carbazole-9-carboxylic acid
SMILESO=C1CCCc2c1n(C(=O)O)c1cc(Cl)c(F)cc21
InChIInChI=1S/C13H9ClFNO3/c14-8-5-10-7(4-9(8)15)6-2-1-3-11(17)12(6)16(10)13(18)19/h4-5H,1-3H2,(H,18,19)
InChIKeyZNCQGANNCBSNFD-UHFFFAOYSA-N
XLogP3.48
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-chloro-6-fluoro-1-oxo-3,4-dihydro-2H-carbazole-9-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-acetyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
CID 853608
6-chloro-9-ethyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
CID 684323
2-[1-(4-Chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]acetic acid
CID 67474725
3-[1-(4-Chlorobenzoyl)-5-fluoro-2-methylindol-3-yl]propanoic acid
CID 71718050
3-[3-(2-Carbamoyl-6-chloroindol-1-yl)phenyl]propanoic acid
CID 145950092
1H-Indole-1-acetic acid, 6-chloro-3-(4-fluorobenzoyl)-alpha,2-methyl-
CID 215536
(4-Chlorophenyl)[3-methyl-2-(trifluoromethyl)-1H-indol-1-yl]methanone
CID 29919195
2-Benzoyl-6-chloroindole
CID 23003423
tert-butyl 6,7-dichloro-3-oxo-2,3-dihydrocyclopenta[b]indole-4(1H)-carboxylate
CID 67377961
t-Butyl 2,3-dichloro-6-oxo-7,8,9,10-tetrahydrocyclohepta[b]indole-5(6h)-carboxylate
CID 155191545
2-(4-chlorophenyl)-1-(6-fluoro-1H-indol-2-yl)-2-methylpropan-1-one
CID 11565910
(4-chlorophenyl)-(5-fluoro-1H-indol-2-yl)methanone
CID 17941130

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-1-oxo-3,4-dihydro-2H-carbazole-9-carboxylic acid?
The IUPAC name of 7-chloro-6-fluoro-1-oxo-3,4-dihydro-2H-carbazole-9-carboxylic acid (CID 67363025) is 7-chloro-6-fluoro-1-oxo-3,4-dihydro-2H-carbazole-9-carboxylic acid.
What is the SMILES notation for 7-chloro-6-fluoro-1-oxo-3,4-dihydro-2H-carbazole-9-carboxylic acid?
The canonical SMILES for 7-chloro-6-fluoro-1-oxo-3,4-dihydro-2H-carbazole-9-carboxylic acid is O=C1CCCc2c1n(C(=O)O)c1cc(Cl)c(F)cc21.
What is the InChIKey of 7-chloro-6-fluoro-1-oxo-3,4-dihydro-2H-carbazole-9-carboxylic acid?
The InChIKey is ZNCQGANNCBSNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c14-8-5-10-7(4-9(8)15)6-2-1-3-11(17)12(6)16(10)13(18)19/h4-5H,1-3H2,(H,18,19).
What are the key properties of 7-chloro-6-fluoro-1-oxo-3,4-dihydro-2H-carbazole-9-carboxylic acid?
7-chloro-6-fluoro-1-oxo-3,4-dihydro-2H-carbazole-9-carboxylic acid has a molecular weight of 281.67 g/mol, XLogP of 3.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-1-oxo-3,4-dihydro-2H-carbazole-9-carboxylic acid is sourced from PubChem (CID 67363025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).