2-butyl-1,6-naphthyridine

C12H14N2 — CID 23383449

IUPAC2-butyl-1,6-naphthyridine
SMILESCCCCc1ccc2cnccc2n1
InChIInChI=1S/C12H14N2/c1-2-3-4-11-6-5-10-9-13-8-7-12(10)14-11/h5-9H,2-4H2,1H3
InChIKeyVGZPIKTYPFDDGA-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.97
Rot. Bonds3

About 2-butyl-1,6-naphthyridine

2-butyl-1,6-naphthyridine (PubChem CID 23383449) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-butyl-1,6-naphthyridine.

Molecular Properties

Compound Name2-butyl-1,6-naphthyridine
PubChem CID23383449
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-butyl-1,6-naphthyridine
SMILESCCCCc1ccc2cnccc2n1
InChIInChI=1S/C12H14N2/c1-2-3-4-11-6-5-10-9-13-8-7-12(10)14-11/h5-9H,2-4H2,1H3
InChIKeyVGZPIKTYPFDDGA-UHFFFAOYSA-N
XLogP2.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,6-naphthyridine?
The IUPAC name of 2-butyl-1,6-naphthyridine (CID 23383449) is 2-butyl-1,6-naphthyridine.
What is the SMILES notation for 2-butyl-1,6-naphthyridine?
The canonical SMILES for 2-butyl-1,6-naphthyridine is CCCCc1ccc2cnccc2n1.
What is the InChIKey of 2-butyl-1,6-naphthyridine?
The InChIKey is VGZPIKTYPFDDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-3-4-11-6-5-10-9-13-8-7-12(10)14-11/h5-9H,2-4H2,1H3.
What are the key properties of 2-butyl-1,6-naphthyridine?
2-butyl-1,6-naphthyridine has a molecular weight of 186.26 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,6-naphthyridine is sourced from PubChem (CID 23383449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).