5-nitro-1,2,3,4-tetrahydroquinoline;hydrochloride

C9H11ClN2O2 — CID 71432719

IUPAC5-nitro-1,2,3,4-tetrahydroquinoline;hydrochloride
SMILESCl.O=[N+]([O-])c1cccc2c1CCCN2
InChIInChI=1S/C9H10N2O2.ClH/c12-11(13)9-5-1-4-8-7(9)3-2-6-10-8;/h1,4-5,10H,2-3,6H2;1H
InChIKeyCLCSHHJAYRTPJH-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.37
Rot. Bonds1

About 5-nitro-1,2,3,4-tetrahydroquinoline;hydrochloride

5-nitro-1,2,3,4-tetrahydroquinoline;hydrochloride (PubChem CID 71432719) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 5-nitro-1,2,3,4-tetrahydroquinoline;hydrochloride.

Molecular Properties

Compound Name5-nitro-1,2,3,4-tetrahydroquinoline;hydrochloride
PubChem CID71432719
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name5-nitro-1,2,3,4-tetrahydroquinoline;hydrochloride
SMILESCl.O=[N+]([O-])c1cccc2c1CCCN2
InChIInChI=1S/C9H10N2O2.ClH/c12-11(13)9-5-1-4-8-7(9)3-2-6-10-8;/h1,4-5,10H,2-3,6H2;1H
InChIKeyCLCSHHJAYRTPJH-UHFFFAOYSA-N
XLogP2.37
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5,7-dinitro-1,2,3,4-tetrahydroquinoline
CID 129353947
5-nitro-1,2,3,4-tetrahydroquinazoline
CID 67696977
5-nitro-3,4-dihydro-1H-2λ6,1-benzothiazine 2,2-dioxide
CID 162715820
8-nitro-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
CID 46907963
1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride
CID 43810457
5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 133058760
6-methyl-7-nitro-1,2,3,4-tetrahydroquinoline
CID 59442001
8-nitro-1,2,3,4-tetrahydroquinolin-5-ol
CID 133057648
2-(5-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 66793847
2,3,4,5-tetrahydro-1H-1-benzazepine-6-carbonitrile
CID 84654427
N-(1,2,3,4-tetrahydroquinolin-5-yl)cyclooctanecarboxamide
CID 65018541
(1R)-1-methyl-5-nitro-1,2,3,4-tetrahydroisoquinoline
CID 130704024

Frequently Asked Questions

What is the IUPAC name of 5-nitro-1,2,3,4-tetrahydroquinoline;hydrochloride?
The IUPAC name of 5-nitro-1,2,3,4-tetrahydroquinoline;hydrochloride (CID 71432719) is 5-nitro-1,2,3,4-tetrahydroquinoline;hydrochloride.
What is the SMILES notation for 5-nitro-1,2,3,4-tetrahydroquinoline;hydrochloride?
The canonical SMILES for 5-nitro-1,2,3,4-tetrahydroquinoline;hydrochloride is Cl.O=[N+]([O-])c1cccc2c1CCCN2.
What is the InChIKey of 5-nitro-1,2,3,4-tetrahydroquinoline;hydrochloride?
The InChIKey is CLCSHHJAYRTPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2.ClH/c12-11(13)9-5-1-4-8-7(9)3-2-6-10-8;/h1,4-5,10H,2-3,6H2;1H.
What are the key properties of 5-nitro-1,2,3,4-tetrahydroquinoline;hydrochloride?
5-nitro-1,2,3,4-tetrahydroquinoline;hydrochloride has a molecular weight of 214.65 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1,2,3,4-tetrahydroquinoline;hydrochloride is sourced from PubChem (CID 71432719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).