2-(5-chloro-2-fluorophenyl)-4-(2,7-naphthyridin-4-yl)-1,8-naphthyridine

C22H12ClFN4 — CID 56592039

IUPAC2-(5-chloro-2-fluorophenyl)-4-(2,7-naphthyridin-4-yl)-1,8-naphthyridine
SMILESFc1ccc(Cl)cc1-c1cc(-c2cncc3cnccc23)c2cccnc2n1
InChIInChI=1S/C22H12ClFN4/c23-14-3-4-20(24)18(8-14)21-9-17(16-2-1-6-27-22(16)28-21)19-12-26-11-13-10-25-7-5-15(13)19/h1-12H
InChIKeyAXIKYQLYKYKQGG-UHFFFAOYSA-N
MW386.82 g/mol
LogP5.70
Rot. Bonds2

About 2-(5-chloro-2-fluorophenyl)-4-(2,7-naphthyridin-4-yl)-1,8-naphthyridine

2-(5-chloro-2-fluorophenyl)-4-(2,7-naphthyridin-4-yl)-1,8-naphthyridine (PubChem CID 56592039) has the molecular formula C22H12ClFN4 and a molecular weight of 386.82 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-(2,7-naphthyridin-4-yl)-1,8-naphthyridine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-(2,7-naphthyridin-4-yl)-1,8-naphthyridine
PubChem CID56592039
Molecular FormulaC22H12ClFN4
Molecular Weight386.82 g/mol
Exact Mass386.07
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-(2,7-naphthyridin-4-yl)-1,8-naphthyridine
SMILESFc1ccc(Cl)cc1-c1cc(-c2cncc3cnccc23)c2cccnc2n1
InChIInChI=1S/C22H12ClFN4/c23-14-3-4-20(24)18(8-14)21-9-17(16-2-1-6-27-22(16)28-21)19-12-26-11-13-10-25-7-5-15(13)19/h1-12H
InChIKeyAXIKYQLYKYKQGG-UHFFFAOYSA-N
XLogP5.70
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.82
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-(2,7-naphthyridin-4-yl)-1,8-naphthyridine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-(2,7-naphthyridin-4-yl)-1,8-naphthyridine (CID 56592039) is 2-(5-chloro-2-fluorophenyl)-4-(2,7-naphthyridin-4-yl)-1,8-naphthyridine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-(2,7-naphthyridin-4-yl)-1,8-naphthyridine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-(2,7-naphthyridin-4-yl)-1,8-naphthyridine is Fc1ccc(Cl)cc1-c1cc(-c2cncc3cnccc23)c2cccnc2n1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-(2,7-naphthyridin-4-yl)-1,8-naphthyridine?
The InChIKey is AXIKYQLYKYKQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12ClFN4/c23-14-3-4-20(24)18(8-14)21-9-17(16-2-1-6-27-22(16)28-21)19-12-26-11-13-10-25-7-5-15(13)19/h1-12H.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-(2,7-naphthyridin-4-yl)-1,8-naphthyridine?
2-(5-chloro-2-fluorophenyl)-4-(2,7-naphthyridin-4-yl)-1,8-naphthyridine has a molecular weight of 386.82 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-(2,7-naphthyridin-4-yl)-1,8-naphthyridine is sourced from PubChem (CID 56592039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).