4-bromo-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridine

C22H12BrFN4 — CID 68621298

IUPAC4-bromo-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridine
SMILESFc1ccccc1-c1cc(-c2ncc(Br)c3cnccc23)c2cccnc2n1
InChIInChI=1S/C22H12BrFN4/c23-18-12-27-21(13-7-9-25-11-17(13)18)16-10-20(15-4-1-2-6-19(15)24)28-22-14(16)5-3-8-26-22/h1-12H
InChIKeyYZHDOPPRJNNWRI-UHFFFAOYSA-N
MW431.27 g/mol
LogP5.81
Rot. Bonds2

About 4-bromo-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridine

4-bromo-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridine (PubChem CID 68621298) has the molecular formula C22H12BrFN4 and a molecular weight of 431.27 g/mol. Its IUPAC name is 4-bromo-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridine.

Molecular Properties

Compound Name4-bromo-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridine
PubChem CID68621298
Molecular FormulaC22H12BrFN4
Molecular Weight431.27 g/mol
Exact Mass430.02
IUPAC Name4-bromo-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridine
SMILESFc1ccccc1-c1cc(-c2ncc(Br)c3cnccc23)c2cccnc2n1
InChIInChI=1S/C22H12BrFN4/c23-18-12-27-21(13-7-9-25-11-17(13)18)16-10-20(15-4-1-2-6-19(15)24)28-22-14(16)5-3-8-26-22/h1-12H
InChIKeyYZHDOPPRJNNWRI-UHFFFAOYSA-N
XLogP5.81
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.27
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridine?
The IUPAC name of 4-bromo-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridine (CID 68621298) is 4-bromo-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridine.
What is the SMILES notation for 4-bromo-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridine?
The canonical SMILES for 4-bromo-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridine is Fc1ccccc1-c1cc(-c2ncc(Br)c3cnccc23)c2cccnc2n1.
What is the InChIKey of 4-bromo-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridine?
The InChIKey is YZHDOPPRJNNWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12BrFN4/c23-18-12-27-21(13-7-9-25-11-17(13)18)16-10-20(15-4-1-2-6-19(15)24)28-22-14(16)5-3-8-26-22/h1-12H.
What are the key properties of 4-bromo-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridine?
4-bromo-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridine has a molecular weight of 431.27 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridine is sourced from PubChem (CID 68621298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).