6-amino-6-bromocyclohexa-2,4-dien-1-ol

C6H8BrNO — CID 68848046

IUPAC6-amino-6-bromocyclohexa-2,4-dien-1-ol
SMILESNC1(Br)C=CC=CC1O
InChIInChI=1S/C6H8BrNO/c7-6(8)4-2-1-3-5(6)9/h1-5,9H,8H2
InChIKeyAHGHWHNEPHYIJN-UHFFFAOYSA-N
MW190.04 g/mol
LogP0.52
Rot. Bonds

About 6-amino-6-bromocyclohexa-2,4-dien-1-ol

6-amino-6-bromocyclohexa-2,4-dien-1-ol (PubChem CID 68848046) has the molecular formula C6H8BrNO and a molecular weight of 190.04 g/mol. Its IUPAC name is 6-amino-6-bromocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-amino-6-bromocyclohexa-2,4-dien-1-ol
PubChem CID68848046
Molecular FormulaC6H8BrNO
Molecular Weight190.04 g/mol
Exact Mass188.98
IUPAC Name6-amino-6-bromocyclohexa-2,4-dien-1-ol
SMILESNC1(Br)C=CC=CC1O
InChIInChI=1S/C6H8BrNO/c7-6(8)4-2-1-3-5(6)9/h1-5,9H,8H2
InChIKeyAHGHWHNEPHYIJN-UHFFFAOYSA-N
XLogP0.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-6-bromocyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-amino-6-bromocyclohexa-2,4-dien-1-ol (CID 68848046) is 6-amino-6-bromocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-amino-6-bromocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-amino-6-bromocyclohexa-2,4-dien-1-ol is NC1(Br)C=CC=CC1O.
What is the InChIKey of 6-amino-6-bromocyclohexa-2,4-dien-1-ol?
The InChIKey is AHGHWHNEPHYIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO/c7-6(8)4-2-1-3-5(6)9/h1-5,9H,8H2.
What are the key properties of 6-amino-6-bromocyclohexa-2,4-dien-1-ol?
6-amino-6-bromocyclohexa-2,4-dien-1-ol has a molecular weight of 190.04 g/mol, XLogP of 0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6-bromocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 68848046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).