4,6,7,8-tetrahydro-1,7-naphthyridin-1-ium

C8H11N2+ — CID 173071834

IUPAC4,6,7,8-tetrahydro-1,7-naphthyridin-1-ium
SMILESC1=C[NH+]=C2CNCC=C2C1
InChIInChI=1S/C8H10N2/c1-2-7-3-5-9-6-8(7)10-4-1/h1,3-4,9H,2,5-6H2/p+1
InChIKeyZIDNWJVXENFWBH-UHFFFAOYSA-O
MW135.19 g/mol
LogP-1.04
Rot. Bonds

About 4,6,7,8-tetrahydro-1,7-naphthyridin-1-ium

4,6,7,8-tetrahydro-1,7-naphthyridin-1-ium (PubChem CID 173071834) has the molecular formula C8H11N2+ and a molecular weight of 135.19 g/mol. Its IUPAC name is 4,6,7,8-tetrahydro-1,7-naphthyridin-1-ium.

Molecular Properties

Compound Name4,6,7,8-tetrahydro-1,7-naphthyridin-1-ium
PubChem CID173071834
Molecular FormulaC8H11N2+
Molecular Weight135.19 g/mol
Exact Mass135.09
IUPAC Name4,6,7,8-tetrahydro-1,7-naphthyridin-1-ium
SMILESC1=C[NH+]=C2CNCC=C2C1
InChIInChI=1S/C8H10N2/c1-2-7-3-5-9-6-8(7)10-4-1/h1,3-4,9H,2,5-6H2/p+1
InChIKeyZIDNWJVXENFWBH-UHFFFAOYSA-O
XLogP-1.04
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6,7,8-tetrahydro-1,7-naphthyridin-1-ium?
The IUPAC name of 4,6,7,8-tetrahydro-1,7-naphthyridin-1-ium (CID 173071834) is 4,6,7,8-tetrahydro-1,7-naphthyridin-1-ium.
What is the SMILES notation for 4,6,7,8-tetrahydro-1,7-naphthyridin-1-ium?
The canonical SMILES for 4,6,7,8-tetrahydro-1,7-naphthyridin-1-ium is C1=C[NH+]=C2CNCC=C2C1.
What is the InChIKey of 4,6,7,8-tetrahydro-1,7-naphthyridin-1-ium?
The InChIKey is ZIDNWJVXENFWBH-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10N2/c1-2-7-3-5-9-6-8(7)10-4-1/h1,3-4,9H,2,5-6H2/p+1.
What are the key properties of 4,6,7,8-tetrahydro-1,7-naphthyridin-1-ium?
4,6,7,8-tetrahydro-1,7-naphthyridin-1-ium has a molecular weight of 135.19 g/mol, XLogP of -1.04, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7,8-tetrahydro-1,7-naphthyridin-1-ium is sourced from PubChem (CID 173071834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).