7-bromo-1-nitro-1,2,3,4-tetrahydronaphthalene

C10H10BrNO2 — CID 82380696

IUPAC7-bromo-1-nitro-1,2,3,4-tetrahydronaphthalene
SMILESO=[N+]([O-])C1CCCc2ccc(Br)cc21
InChIInChI=1S/C10H10BrNO2/c11-8-5-4-7-2-1-3-10(12(13)14)9(7)6-8/h4-6,10H,1-3H2
InChIKeyJIKRNCHXKZCKKI-UHFFFAOYSA-N
MW256.10 g/mol
LogP3.10
Rot. Bonds1

About 7-bromo-1-nitro-1,2,3,4-tetrahydronaphthalene

7-bromo-1-nitro-1,2,3,4-tetrahydronaphthalene (PubChem CID 82380696) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 7-bromo-1-nitro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name7-bromo-1-nitro-1,2,3,4-tetrahydronaphthalene
PubChem CID82380696
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name7-bromo-1-nitro-1,2,3,4-tetrahydronaphthalene
SMILESO=[N+]([O-])C1CCCc2ccc(Br)cc21
InChIInChI=1S/C10H10BrNO2/c11-8-5-4-7-2-1-3-10(12(13)14)9(7)6-8/h4-6,10H,1-3H2
InChIKeyJIKRNCHXKZCKKI-UHFFFAOYSA-N
XLogP3.10
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)methylidene]hydroxylamine
CID 175174429
6-bromo-1-nitroso-2,3-dihydro-1H-indene
CID 90991723
6-bromo-2,3-dihydro-1H-indene-1-carbaldehyde
CID 134939038
7-nitro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 11008778
(1R)-7-bromo-N-(2-ethylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 97158290
6-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 18469942
(1R)-6-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
CID 71416765
6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570808
lithium 2-nitrocyclopentan-1-one
CID 23712210
(2R)-2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 103894761
(1R,2R)-1-amino-7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol
CID 67280135
3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 22391802

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-nitro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 7-bromo-1-nitro-1,2,3,4-tetrahydronaphthalene (CID 82380696) is 7-bromo-1-nitro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 7-bromo-1-nitro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 7-bromo-1-nitro-1,2,3,4-tetrahydronaphthalene is O=[N+]([O-])C1CCCc2ccc(Br)cc21.
What is the InChIKey of 7-bromo-1-nitro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is JIKRNCHXKZCKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c11-8-5-4-7-2-1-3-10(12(13)14)9(7)6-8/h4-6,10H,1-3H2.
What are the key properties of 7-bromo-1-nitro-1,2,3,4-tetrahydronaphthalene?
7-bromo-1-nitro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 256.10 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-nitro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 82380696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).