8-bromo-7-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid

C14H12BrFN2O2 — CID 61357933

IUPAC8-bromo-7-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
SMILESCN1CCc2nc3cc(F)c(Br)cc3c(C(=O)O)c2C1
InChIInChI=1S/C14H12BrFN2O2/c1-18-3-2-11-8(6-18)13(14(19)20)7-4-9(15)10(16)5-12(7)17-11/h4-5H,2-3,6H2,1H3,(H,19,20)
InChIKeyUVJQSVPEKKFDKK-UHFFFAOYSA-N
MW339.16 g/mol
LogP2.82
Rot. Bonds1

About 8-bromo-7-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid

8-bromo-7-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid (PubChem CID 61357933) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 8-bromo-7-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid.

Molecular Properties

Compound Name8-bromo-7-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
PubChem CID61357933
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name8-bromo-7-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
SMILESCN1CCc2nc3cc(F)c(Br)cc3c(C(=O)O)c2C1
InChIInChI=1S/C14H12BrFN2O2/c1-18-3-2-11-8(6-18)13(14(19)20)7-4-9(15)10(16)5-12(7)17-11/h4-5H,2-3,6H2,1H3,(H,19,20)
InChIKeyUVJQSVPEKKFDKK-UHFFFAOYSA-N
XLogP2.82
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
The IUPAC name of 8-bromo-7-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid (CID 61357933) is 8-bromo-7-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid.
What is the SMILES notation for 8-bromo-7-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
The canonical SMILES for 8-bromo-7-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid is CN1CCc2nc3cc(F)c(Br)cc3c(C(=O)O)c2C1.
What is the InChIKey of 8-bromo-7-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
The InChIKey is UVJQSVPEKKFDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c1-18-3-2-11-8(6-18)13(14(19)20)7-4-9(15)10(16)5-12(7)17-11/h4-5H,2-3,6H2,1H3,(H,19,20).
What are the key properties of 8-bromo-7-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
8-bromo-7-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid has a molecular weight of 339.16 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid is sourced from PubChem (CID 61357933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).