9-fluoro-3-pyridin-3-yl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid

C23H15FN2O2 — CID 19036894

IUPAC9-fluoro-3-pyridin-3-yl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3cccnc3)cc1CC2
InChIInChI=1S/C23H15FN2O2/c24-16-5-8-20-19(11-16)21(23(27)28)18-7-4-14-10-13(15-2-1-9-25-12-15)3-6-17(14)22(18)26-20/h1-3,5-6,8-12H,4,7H2,(H,27,28)
InChIKeyCAFSHNPQJSQBMF-UHFFFAOYSA-N
MW370.38 g/mol
LogP4.90
Rot. Bonds2

About 9-fluoro-3-pyridin-3-yl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid

9-fluoro-3-pyridin-3-yl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid (PubChem CID 19036894) has the molecular formula C23H15FN2O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is 9-fluoro-3-pyridin-3-yl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid.

Molecular Properties

Compound Name9-fluoro-3-pyridin-3-yl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid
PubChem CID19036894
Molecular FormulaC23H15FN2O2
Molecular Weight370.38 g/mol
Exact Mass370.11
IUPAC Name9-fluoro-3-pyridin-3-yl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3cccnc3)cc1CC2
InChIInChI=1S/C23H15FN2O2/c24-16-5-8-20-19(11-16)21(23(27)28)18-7-4-14-10-13(15-2-1-9-25-12-15)3-6-17(14)22(18)26-20/h1-3,5-6,8-12H,4,7H2,(H,27,28)
InChIKeyCAFSHNPQJSQBMF-UHFFFAOYSA-N
XLogP4.90
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-3-pyridin-3-yl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid?
The IUPAC name of 9-fluoro-3-pyridin-3-yl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid (CID 19036894) is 9-fluoro-3-pyridin-3-yl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid.
What is the SMILES notation for 9-fluoro-3-pyridin-3-yl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid?
The canonical SMILES for 9-fluoro-3-pyridin-3-yl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid is O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3cccnc3)cc1CC2.
What is the InChIKey of 9-fluoro-3-pyridin-3-yl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid?
The InChIKey is CAFSHNPQJSQBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN2O2/c24-16-5-8-20-19(11-16)21(23(27)28)18-7-4-14-10-13(15-2-1-9-25-12-15)3-6-17(14)22(18)26-20/h1-3,5-6,8-12H,4,7H2,(H,27,28).
What are the key properties of 9-fluoro-3-pyridin-3-yl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid?
9-fluoro-3-pyridin-3-yl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid has a molecular weight of 370.38 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-3-pyridin-3-yl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid is sourced from PubChem (CID 19036894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).