6-chloro-1,2,3,4,6,7-hexahydro-1,5-naphthyridine

C8H11ClN2 — CID 146400151

IUPAC6-chloro-1,2,3,4,6,7-hexahydro-1,5-naphthyridine
SMILESClC1CC=C2NCCCC2=N1
InChIInChI=1S/C8H11ClN2/c9-8-4-3-6-7(11-8)2-1-5-10-6/h3,8,10H,1-2,4-5H2
InChIKeyLHLBQZLCMWVARQ-UHFFFAOYSA-N
MW170.64 g/mol
LogP1.66
Rot. Bonds

About 6-chloro-1,2,3,4,6,7-hexahydro-1,5-naphthyridine

6-chloro-1,2,3,4,6,7-hexahydro-1,5-naphthyridine (PubChem CID 146400151) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 6-chloro-1,2,3,4,6,7-hexahydro-1,5-naphthyridine.

Molecular Properties

Compound Name6-chloro-1,2,3,4,6,7-hexahydro-1,5-naphthyridine
PubChem CID146400151
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name6-chloro-1,2,3,4,6,7-hexahydro-1,5-naphthyridine
SMILESClC1CC=C2NCCCC2=N1
InChIInChI=1S/C8H11ClN2/c9-8-4-3-6-7(11-8)2-1-5-10-6/h3,8,10H,1-2,4-5H2
InChIKeyLHLBQZLCMWVARQ-UHFFFAOYSA-N
XLogP1.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,2,3,4,6,7-hexahydro-1,5-naphthyridine?
The IUPAC name of 6-chloro-1,2,3,4,6,7-hexahydro-1,5-naphthyridine (CID 146400151) is 6-chloro-1,2,3,4,6,7-hexahydro-1,5-naphthyridine.
What is the SMILES notation for 6-chloro-1,2,3,4,6,7-hexahydro-1,5-naphthyridine?
The canonical SMILES for 6-chloro-1,2,3,4,6,7-hexahydro-1,5-naphthyridine is ClC1CC=C2NCCCC2=N1.
What is the InChIKey of 6-chloro-1,2,3,4,6,7-hexahydro-1,5-naphthyridine?
The InChIKey is LHLBQZLCMWVARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c9-8-4-3-6-7(11-8)2-1-5-10-6/h3,8,10H,1-2,4-5H2.
What are the key properties of 6-chloro-1,2,3,4,6,7-hexahydro-1,5-naphthyridine?
6-chloro-1,2,3,4,6,7-hexahydro-1,5-naphthyridine has a molecular weight of 170.64 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,2,3,4,6,7-hexahydro-1,5-naphthyridine is sourced from PubChem (CID 146400151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).