1-fluoro-6-methyl-9H-carbazole-3-carboxylic acid

C14H10FNO2 — CID 150426776

IUPAC1-fluoro-6-methyl-9H-carbazole-3-carboxylic acid
SMILESCc1ccc2[nH]c3c(F)cc(C(=O)O)cc3c2c1
InChIInChI=1S/C14H10FNO2/c1-7-2-3-12-9(4-7)10-5-8(14(17)18)6-11(15)13(10)16-12/h2-6,16H,1H3,(H,17,18)
InChIKeyHIXOXHGPJUYNJM-UHFFFAOYSA-N
MW243.24 g/mol
LogP3.47
Rot. Bonds1

About 1-fluoro-6-methyl-9H-carbazole-3-carboxylic acid

1-fluoro-6-methyl-9H-carbazole-3-carboxylic acid (PubChem CID 150426776) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is 1-fluoro-6-methyl-9H-carbazole-3-carboxylic acid.

Molecular Properties

Compound Name1-fluoro-6-methyl-9H-carbazole-3-carboxylic acid
PubChem CID150426776
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name1-fluoro-6-methyl-9H-carbazole-3-carboxylic acid
SMILESCc1ccc2[nH]c3c(F)cc(C(=O)O)cc3c2c1
InChIInChI=1S/C14H10FNO2/c1-7-2-3-12-9(4-7)10-5-8(14(17)18)6-11(15)13(10)16-12/h2-6,16H,1H3,(H,17,18)
InChIKeyHIXOXHGPJUYNJM-UHFFFAOYSA-N
XLogP3.47
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-dimethyl-9H-carbazole
CID 144942624
1,3,6-trimethyl-9H-carbazole
CID 139213984
5-methyl-3-(2,2,2-trifluoroacetyl)-1H-indole-2-carboxylic acid
CID 84641540
2,8-dimethyl-5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione
CID 24764365
1-chloro-3,6-dimethyl-9H-carbazole
CID 174314278
1-bromo-3,6-dimethyl-9H-carbazole
CID 155672564
butane;6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylic acid
CID 121473005
(2,5-dimethyl-1H-indol-3-yl)-(4-fluorophenyl)methanone
CID 82092209
4-(2-bromo-4-methylphenoxy)-3,5-difluorobenzoic acid
CID 63461641
(5-methyl-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63555314
4-(2-bromo-5-methylanilino)-3,5-difluorobenzoic acid
CID 82757080
2-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)-2-oxoacetic acid
CID 117341642

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-methyl-9H-carbazole-3-carboxylic acid?
The IUPAC name of 1-fluoro-6-methyl-9H-carbazole-3-carboxylic acid (CID 150426776) is 1-fluoro-6-methyl-9H-carbazole-3-carboxylic acid.
What is the SMILES notation for 1-fluoro-6-methyl-9H-carbazole-3-carboxylic acid?
The canonical SMILES for 1-fluoro-6-methyl-9H-carbazole-3-carboxylic acid is Cc1ccc2[nH]c3c(F)cc(C(=O)O)cc3c2c1.
What is the InChIKey of 1-fluoro-6-methyl-9H-carbazole-3-carboxylic acid?
The InChIKey is HIXOXHGPJUYNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2/c1-7-2-3-12-9(4-7)10-5-8(14(17)18)6-11(15)13(10)16-12/h2-6,16H,1H3,(H,17,18).
What are the key properties of 1-fluoro-6-methyl-9H-carbazole-3-carboxylic acid?
1-fluoro-6-methyl-9H-carbazole-3-carboxylic acid has a molecular weight of 243.24 g/mol, XLogP of 3.47, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-methyl-9H-carbazole-3-carboxylic acid is sourced from PubChem (CID 150426776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).