6-fluoro-1-pentyl-2H-1,8-naphthyridine

C13H17FN2 — CID 67803515

IUPAC6-fluoro-1-pentyl-2H-1,8-naphthyridine
SMILESCCCCCN1CC=Cc2cc(F)cnc21
InChIInChI=1S/C13H17FN2/c1-2-3-4-7-16-8-5-6-11-9-12(14)10-15-13(11)16/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyVLTVIBLFOJQXKH-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.24
Rot. Bonds4

About 6-fluoro-1-pentyl-2H-1,8-naphthyridine

6-fluoro-1-pentyl-2H-1,8-naphthyridine (PubChem CID 67803515) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 6-fluoro-1-pentyl-2H-1,8-naphthyridine.

Molecular Properties

Compound Name6-fluoro-1-pentyl-2H-1,8-naphthyridine
PubChem CID67803515
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name6-fluoro-1-pentyl-2H-1,8-naphthyridine
SMILESCCCCCN1CC=Cc2cc(F)cnc21
InChIInChI=1S/C13H17FN2/c1-2-3-4-7-16-8-5-6-11-9-12(14)10-15-13(11)16/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyVLTVIBLFOJQXKH-UHFFFAOYSA-N
XLogP3.24
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-pentyl-2H-1,8-naphthyridine?
The IUPAC name of 6-fluoro-1-pentyl-2H-1,8-naphthyridine (CID 67803515) is 6-fluoro-1-pentyl-2H-1,8-naphthyridine.
What is the SMILES notation for 6-fluoro-1-pentyl-2H-1,8-naphthyridine?
The canonical SMILES for 6-fluoro-1-pentyl-2H-1,8-naphthyridine is CCCCCN1CC=Cc2cc(F)cnc21.
What is the InChIKey of 6-fluoro-1-pentyl-2H-1,8-naphthyridine?
The InChIKey is VLTVIBLFOJQXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-2-3-4-7-16-8-5-6-11-9-12(14)10-15-13(11)16/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 6-fluoro-1-pentyl-2H-1,8-naphthyridine?
6-fluoro-1-pentyl-2H-1,8-naphthyridine has a molecular weight of 220.29 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-pentyl-2H-1,8-naphthyridine is sourced from PubChem (CID 67803515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).