2-azido-6-chloro-1,2,3,4-tetrahydronaphthalene

C10H10ClN3 — CID 90898481

IUPAC2-azido-6-chloro-1,2,3,4-tetrahydronaphthalene
SMILES[N-]=[N+]=NC1CCc2cc(Cl)ccc2C1
InChIInChI=1S/C10H10ClN3/c11-9-3-1-8-6-10(13-14-12)4-2-7(8)5-9/h1,3,5,10H,2,4,6H2
InChIKeyJYQCIWZAGXXQGJ-UHFFFAOYSA-N
MW207.66 g/mol
LogP3.51
Rot. Bonds1

About 2-azido-6-chloro-1,2,3,4-tetrahydronaphthalene

2-azido-6-chloro-1,2,3,4-tetrahydronaphthalene (PubChem CID 90898481) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-azido-6-chloro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-azido-6-chloro-1,2,3,4-tetrahydronaphthalene
PubChem CID90898481
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name2-azido-6-chloro-1,2,3,4-tetrahydronaphthalene
SMILES[N-]=[N+]=NC1CCc2cc(Cl)ccc2C1
InChIInChI=1S/C10H10ClN3/c11-9-3-1-8-6-10(13-14-12)4-2-7(8)5-9/h1,3,5,10H,2,4,6H2
InChIKeyJYQCIWZAGXXQGJ-UHFFFAOYSA-N
XLogP3.51
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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2-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine
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6-chloro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
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CID 66362547
7-chloro-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene
CID 102268560
5-chloro-2-methoxy-2,3-dihydro-1H-indene
CID 141376286
5-chloro-2,3-dihydro-1H-inden-2-amine;2,3-dihydro-1H-inden-2-amine
CID 167560808
6-chloro-2,3-dihydro-1H-inden-1-ol
CID 42614780
8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 84720669
6-chloro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115057058

Frequently Asked Questions

What is the IUPAC name of 2-azido-6-chloro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-azido-6-chloro-1,2,3,4-tetrahydronaphthalene (CID 90898481) is 2-azido-6-chloro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-azido-6-chloro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-azido-6-chloro-1,2,3,4-tetrahydronaphthalene is [N-]=[N+]=NC1CCc2cc(Cl)ccc2C1.
What is the InChIKey of 2-azido-6-chloro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is JYQCIWZAGXXQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c11-9-3-1-8-6-10(13-14-12)4-2-7(8)5-9/h1,3,5,10H,2,4,6H2.
What are the key properties of 2-azido-6-chloro-1,2,3,4-tetrahydronaphthalene?
2-azido-6-chloro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 207.66 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-6-chloro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 90898481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).