2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride

C8H10Cl2N2 — CID 18449165

IUPAC2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride
SMILESCl.Clc1ccc2c(n1)CCNC2
InChIInChI=1S/C8H9ClN2.ClH/c9-8-2-1-6-5-10-4-3-7(6)11-8;/h1-2,10H,3-5H2;1H
InChIKeyFRACHJCOMOVESL-UHFFFAOYSA-N
MW205.09 g/mol
LogP1.80
Rot. Bonds

About 2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride

2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride (PubChem CID 18449165) has the molecular formula C8H10Cl2N2 and a molecular weight of 205.09 g/mol. Its IUPAC name is 2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride.

Molecular Properties

Compound Name2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride
PubChem CID18449165
Molecular FormulaC8H10Cl2N2
Molecular Weight205.09 g/mol
Exact Mass204.02
IUPAC Name2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride
SMILESCl.Clc1ccc2c(n1)CCNC2
InChIInChI=1S/C8H9ClN2.ClH/c9-8-2-1-6-5-10-4-3-7(6)11-8;/h1-2,10H,3-5H2;1H
InChIKeyFRACHJCOMOVESL-UHFFFAOYSA-N
XLogP1.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 51.80
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

3-(6-Chloro-2-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene;hydrochloride
CID 45262649
5,6,7,8-Tetrahydro-1,7-naphthyridine dihydrochloride
CID 70700561
(2-Chloroquinolin-3-yl)methanamine
CID 71748539
7,7'-[1,4-Phenylenebis(methylene)]bis[15-chloro-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene]
CID 477101
5,6,7,8-Tetrahydro-1,6-naphthyridine
CID 13193882
5,6,7,8-Tetrahydro-1,6-naphthyridin-2-ylphosphonic acid;hydrochloride
CID 164562933
5-Chloro-6,11-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 75582810
Quinoline, 3-chloro-2-methyl-4-(2-(4-piperidinyl)ethyl)-, monohydrochloride
CID 3062232
Quinoline, 3-chloro-2-(2-(4-piperidinyl)ethyl)-, monohydrochloride
CID 3062240
4-Chloro-2-methyl-5,6,7,8-tetrahydroquinoline
CID 12798307
5-Methyl-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 13193879
6-Benzyl-2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 16228747

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride?
The IUPAC name of 2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride (CID 18449165) is 2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride.
What is the SMILES notation for 2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride?
The canonical SMILES for 2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride is Cl.Clc1ccc2c(n1)CCNC2.
What is the InChIKey of 2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride?
The InChIKey is FRACHJCOMOVESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2.ClH/c9-8-2-1-6-5-10-4-3-7(6)11-8;/h1-2,10H,3-5H2;1H.
What are the key properties of 2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride?
2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride has a molecular weight of 205.09 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride is sourced from PubChem (CID 18449165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).