2-(5-chloro-2-fluorophenyl)-4-[5-(6-methyl-2-pyridinyl)-3-pyridinyl]-1,8-naphthyridine

C25H16ClFN4 — CID 71038136

IUPAC2-(5-chloro-2-fluorophenyl)-4-[5-(6-methyl-2-pyridinyl)-3-pyridinyl]-1,8-naphthyridine
SMILESCc1cccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)n1
InChIInChI=1S/C25H16ClFN4/c1-15-4-2-6-23(30-15)17-10-16(13-28-14-17)20-12-24(21-11-18(26)7-8-22(21)27)31-25-19(20)5-3-9-29-25/h2-14H,1H3
InChIKeyWRKXYTIIYNTDEJ-UHFFFAOYSA-N
MW426.88 g/mol
LogP6.52
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-4-[5-(6-methyl-2-pyridinyl)-3-pyridinyl]-1,8-naphthyridine

2-(5-chloro-2-fluorophenyl)-4-[5-(6-methyl-2-pyridinyl)-3-pyridinyl]-1,8-naphthyridine (PubChem CID 71038136) has the molecular formula C25H16ClFN4 and a molecular weight of 426.88 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-[5-(6-methyl-2-pyridinyl)-3-pyridinyl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-[5-(6-methyl-2-pyridinyl)-3-pyridinyl]-1,8-naphthyridine
PubChem CID71038136
Molecular FormulaC25H16ClFN4
Molecular Weight426.88 g/mol
Exact Mass426.10
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-[5-(6-methyl-2-pyridinyl)-3-pyridinyl]-1,8-naphthyridine
SMILESCc1cccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)n1
InChIInChI=1S/C25H16ClFN4/c1-15-4-2-6-23(30-15)17-10-16(13-28-14-17)20-12-24(21-11-18(26)7-8-22(21)27)31-25-19(20)5-3-9-29-25/h2-14H,1H3
InChIKeyWRKXYTIIYNTDEJ-UHFFFAOYSA-N
XLogP6.52
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.88
LogP ≤ 56.52
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-[5-(6-methyl-2-pyridinyl)-3-pyridinyl]-1,8-naphthyridine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[5-(6-methyl-2-pyridinyl)-3-pyridinyl]-1,8-naphthyridine (CID 71038136) is 2-(5-chloro-2-fluorophenyl)-4-[5-(6-methyl-2-pyridinyl)-3-pyridinyl]-1,8-naphthyridine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-[5-(6-methyl-2-pyridinyl)-3-pyridinyl]-1,8-naphthyridine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-[5-(6-methyl-2-pyridinyl)-3-pyridinyl]-1,8-naphthyridine is Cc1cccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)n1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-[5-(6-methyl-2-pyridinyl)-3-pyridinyl]-1,8-naphthyridine?
The InChIKey is WRKXYTIIYNTDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClFN4/c1-15-4-2-6-23(30-15)17-10-16(13-28-14-17)20-12-24(21-11-18(26)7-8-22(21)27)31-25-19(20)5-3-9-29-25/h2-14H,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-[5-(6-methyl-2-pyridinyl)-3-pyridinyl]-1,8-naphthyridine?
2-(5-chloro-2-fluorophenyl)-4-[5-(6-methyl-2-pyridinyl)-3-pyridinyl]-1,8-naphthyridine has a molecular weight of 426.88 g/mol, XLogP of 6.52, 3 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-[5-(6-methyl-2-pyridinyl)-3-pyridinyl]-1,8-naphthyridine is sourced from PubChem (CID 71038136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).