5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine

C8H9ClN2 — CID 53435831

IUPAC5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine
SMILESClc1nccc2c1CCNC2
InChIInChI=1S/C8H9ClN2/c9-8-7-2-3-10-5-6(7)1-4-11-8/h1,4,10H,2-3,5H2
InChIKeyMCZZBLVEWFMCAM-UHFFFAOYSA-N
MW168.63 g/mol
LogP1.38
Rot. Bonds

About 5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine

5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine (PubChem CID 53435831) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine.

Molecular Properties

Compound Name5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine
PubChem CID53435831
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine
SMILESClc1nccc2c1CCNC2
InChIInChI=1S/C8H9ClN2/c9-8-7-2-3-10-5-6(7)1-4-11-8/h1,4,10H,2-3,5H2
InChIKeyMCZZBLVEWFMCAM-UHFFFAOYSA-N
XLogP1.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine?
The IUPAC name of 5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine (CID 53435831) is 5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine.
What is the SMILES notation for 5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine?
The canonical SMILES for 5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine is Clc1nccc2c1CCNC2.
What is the InChIKey of 5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine?
The InChIKey is MCZZBLVEWFMCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2/c9-8-7-2-3-10-5-6(7)1-4-11-8/h1,4,10H,2-3,5H2.
What are the key properties of 5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine?
5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine has a molecular weight of 168.63 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine is sourced from PubChem (CID 53435831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).