1H-1-benzazepine-2,3-diol;hydrobromide

C10H10BrNO2 — CID 70528531

IUPAC1H-1-benzazepine-2,3-diol;hydrobromide
SMILESBr.OC1=C(O)Nc2ccccc2C=C1
InChIInChI=1S/C10H9NO2.BrH/c12-9-6-5-7-3-1-2-4-8(7)11-10(9)13;/h1-6,11-13H;1H
InChIKeyRXWTYKZRVOVLHC-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.99
Rot. Bonds

About 1H-1-benzazepine-2,3-diol;hydrobromide

1H-1-benzazepine-2,3-diol;hydrobromide (PubChem CID 70528531) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 1H-1-benzazepine-2,3-diol;hydrobromide.

Molecular Properties

Compound Name1H-1-benzazepine-2,3-diol;hydrobromide
PubChem CID70528531
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name1H-1-benzazepine-2,3-diol;hydrobromide
SMILESBr.OC1=C(O)Nc2ccccc2C=C1
InChIInChI=1S/C10H9NO2.BrH/c12-9-6-5-7-3-1-2-4-8(7)11-10(9)13;/h1-6,11-13H;1H
InChIKeyRXWTYKZRVOVLHC-UHFFFAOYSA-N
XLogP2.99
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-1-benzazepine-2,3-diol;hydrobromide?
The IUPAC name of 1H-1-benzazepine-2,3-diol;hydrobromide (CID 70528531) is 1H-1-benzazepine-2,3-diol;hydrobromide.
What is the SMILES notation for 1H-1-benzazepine-2,3-diol;hydrobromide?
The canonical SMILES for 1H-1-benzazepine-2,3-diol;hydrobromide is Br.OC1=C(O)Nc2ccccc2C=C1.
What is the InChIKey of 1H-1-benzazepine-2,3-diol;hydrobromide?
The InChIKey is RXWTYKZRVOVLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.BrH/c12-9-6-5-7-3-1-2-4-8(7)11-10(9)13;/h1-6,11-13H;1H.
What are the key properties of 1H-1-benzazepine-2,3-diol;hydrobromide?
1H-1-benzazepine-2,3-diol;hydrobromide has a molecular weight of 256.10 g/mol, XLogP of 2.99, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1-benzazepine-2,3-diol;hydrobromide is sourced from PubChem (CID 70528531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).