3-[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]benzoic acid

C20H15FN2O2 — CID 170319231

IUPAC3-[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]benzoic acid
SMILESCNc1cc(F)cc2c1[nH]c1ccc(-c3cccc(C(=O)O)c3)cc12
InChIInChI=1S/C20H15FN2O2/c1-22-18-10-14(21)9-16-15-8-12(5-6-17(15)23-19(16)18)11-3-2-4-13(7-11)20(24)25/h2-10,22-23H,1H3,(H,24,25)
InChIKeyVAJBKANTIBFUFQ-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.87
Rot. Bonds3

About 3-[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]benzoic acid

3-[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]benzoic acid (PubChem CID 170319231) has the molecular formula C20H15FN2O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is 3-[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]benzoic acid.

Molecular Properties

Compound Name3-[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]benzoic acid
PubChem CID170319231
Molecular FormulaC20H15FN2O2
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC Name3-[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]benzoic acid
SMILESCNc1cc(F)cc2c1[nH]c1ccc(-c3cccc(C(=O)O)c3)cc12
InChIInChI=1S/C20H15FN2O2/c1-22-18-10-14(21)9-16-15-8-12(5-6-17(15)23-19(16)18)11-3-2-4-13(7-11)20(24)25/h2-10,22-23H,1H3,(H,24,25)
InChIKeyVAJBKANTIBFUFQ-UHFFFAOYSA-N
XLogP4.87
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]benzoic acid?
The IUPAC name of 3-[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]benzoic acid (CID 170319231) is 3-[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]benzoic acid.
What is the SMILES notation for 3-[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]benzoic acid?
The canonical SMILES for 3-[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]benzoic acid is CNc1cc(F)cc2c1[nH]c1ccc(-c3cccc(C(=O)O)c3)cc12.
What is the InChIKey of 3-[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]benzoic acid?
The InChIKey is VAJBKANTIBFUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2/c1-22-18-10-14(21)9-16-15-8-12(5-6-17(15)23-19(16)18)11-3-2-4-13(7-11)20(24)25/h2-10,22-23H,1H3,(H,24,25).
What are the key properties of 3-[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]benzoic acid?
3-[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]benzoic acid has a molecular weight of 334.35 g/mol, XLogP of 4.87, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-fluoro-8-(methylamino)-9H-carbazol-3-yl]benzoic acid is sourced from PubChem (CID 170319231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).