4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine

C21H14F2N2 — CID 56834581

IUPAC4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine
SMILESCc1ccccc1-c1nccc2c(-c3ccc(F)cc3F)ccnc12
InChIInChI=1S/C21H14F2N2/c1-13-4-2-3-5-15(13)20-21-18(9-11-24-20)16(8-10-25-21)17-7-6-14(22)12-19(17)23/h2-12H,1H3
InChIKeyVHNQLSBSUPITCK-UHFFFAOYSA-N
MW332.35 g/mol
LogP5.55
Rot. Bonds2

About 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine

4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine (PubChem CID 56834581) has the molecular formula C21H14F2N2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine
PubChem CID56834581
Molecular FormulaC21H14F2N2
Molecular Weight332.35 g/mol
Exact Mass332.11
IUPAC Name4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine
SMILESCc1ccccc1-c1nccc2c(-c3ccc(F)cc3F)ccnc12
InChIInChI=1S/C21H14F2N2/c1-13-4-2-3-5-15(13)20-21-18(9-11-24-20)16(8-10-25-21)17-7-6-14(22)12-19(17)23/h2-12H,1H3
InChIKeyVHNQLSBSUPITCK-UHFFFAOYSA-N
XLogP5.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.35
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine?
The IUPAC name of 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine (CID 56834581) is 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine?
The canonical SMILES for 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine is Cc1ccccc1-c1nccc2c(-c3ccc(F)cc3F)ccnc12.
What is the InChIKey of 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine?
The InChIKey is VHNQLSBSUPITCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2/c1-13-4-2-3-5-15(13)20-21-18(9-11-24-20)16(8-10-25-21)17-7-6-14(22)12-19(17)23/h2-12H,1H3.
What are the key properties of 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine?
4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine has a molecular weight of 332.35 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridine is sourced from PubChem (CID 56834581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).