7-(3-bromo-5-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid

C15H12BrFN2O2 — CID 139320916

IUPAC7-(3-bromo-5-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(cn1)CN(c1cc(F)cc(Br)c1)CC2
InChIInChI=1S/C15H12BrFN2O2/c16-11-4-12(17)6-13(5-11)19-2-1-9-3-14(15(20)21)18-7-10(9)8-19/h3-7H,1-2,8H2,(H,20,21)
InChIKeyOCAUPZPURCCHEA-UHFFFAOYSA-N
MW351.18 g/mol
LogP3.24
Rot. Bonds2

About 7-(3-bromo-5-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid

7-(3-bromo-5-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid (PubChem CID 139320916) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is 7-(3-bromo-5-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(3-bromo-5-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
PubChem CID139320916
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC Name7-(3-bromo-5-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(cn1)CN(c1cc(F)cc(Br)c1)CC2
InChIInChI=1S/C15H12BrFN2O2/c16-11-4-12(17)6-13(5-11)19-2-1-9-3-14(15(20)21)18-7-10(9)8-19/h3-7H,1-2,8H2,(H,20,21)
InChIKeyOCAUPZPURCCHEA-UHFFFAOYSA-N
XLogP3.24
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3-bromo-5-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-(3-bromo-5-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid (CID 139320916) is 7-(3-bromo-5-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-(3-bromo-5-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-(3-bromo-5-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid is O=C(O)c1cc2c(cn1)CN(c1cc(F)cc(Br)c1)CC2.
What is the InChIKey of 7-(3-bromo-5-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
The InChIKey is OCAUPZPURCCHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c16-11-4-12(17)6-13(5-11)19-2-1-9-3-14(15(20)21)18-7-10(9)8-19/h3-7H,1-2,8H2,(H,20,21).
What are the key properties of 7-(3-bromo-5-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
7-(3-bromo-5-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid has a molecular weight of 351.18 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-bromo-5-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 139320916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).