5,7-dichloro-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride

C8H9Cl3N2 — CID 146013843

IUPAC5,7-dichloro-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride
SMILESCl.Clc1cc2c(c(Cl)n1)CCNC2
InChIInChI=1S/C8H8Cl2N2.ClH/c9-7-3-5-4-11-2-1-6(5)8(10)12-7;/h3,11H,1-2,4H2;1H
InChIKeyOWSWRCCXKWYLFC-UHFFFAOYSA-N
MW239.53 g/mol
LogP2.46
Rot. Bonds

About 5,7-dichloro-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride

5,7-dichloro-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride (PubChem CID 146013843) has the molecular formula C8H9Cl3N2 and a molecular weight of 239.53 g/mol. Its IUPAC name is 5,7-dichloro-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride.

Molecular Properties

Compound Name5,7-dichloro-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride
PubChem CID146013843
Molecular FormulaC8H9Cl3N2
Molecular Weight239.53 g/mol
Exact Mass237.98
IUPAC Name5,7-dichloro-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride
SMILESCl.Clc1cc2c(c(Cl)n1)CCNC2
InChIInChI=1S/C8H8Cl2N2.ClH/c9-7-3-5-4-11-2-1-6(5)8(10)12-7;/h3,11H,1-2,4H2;1H
InChIKeyOWSWRCCXKWYLFC-UHFFFAOYSA-N
XLogP2.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.53
LogP ≤ 52.46
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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Related Compounds

5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 53435831
5-chloro-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 71743943
5,6,7-trimethyl-1,2,3,4-tetrahydroisoquinoline
CID 137470478
4-chloro-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115045658
acetamide;5,7-dichloro-1,2,3,4-tetrahydroisoquinoline
CID 175094246
6,8-dichloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 12595080
6-chloro-5-fluoro-1,2,3,4-tetrahydroisoquinoline
CID 53418628
4-chloro-2-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-one
CID 105451850
1-(2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone
CID 105464586
7-bromo-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 84691706
5,6,7,8-tetrahydro-2H-pyrido[3,4-d]pyridazin-1-one;hydrochloride
CID 71743924
7-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 138536365

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride?
The IUPAC name of 5,7-dichloro-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride (CID 146013843) is 5,7-dichloro-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride.
What is the SMILES notation for 5,7-dichloro-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride?
The canonical SMILES for 5,7-dichloro-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride is Cl.Clc1cc2c(c(Cl)n1)CCNC2.
What is the InChIKey of 5,7-dichloro-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride?
The InChIKey is OWSWRCCXKWYLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2.ClH/c9-7-3-5-4-11-2-1-6(5)8(10)12-7;/h3,11H,1-2,4H2;1H.
What are the key properties of 5,7-dichloro-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride?
5,7-dichloro-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride has a molecular weight of 239.53 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride is sourced from PubChem (CID 146013843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).