2H-2-benzazepin-6-ol;hydrobromide

C10H10BrNO — CID 141074641

IUPAC2H-2-benzazepin-6-ol;hydrobromide
SMILESBr.Oc1cccc2c1=CC=CNC=2
InChIInChI=1S/C10H9NO.BrH/c12-10-5-1-3-8-7-11-6-2-4-9(8)10;/h1-7,11-12H;1H
InChIKeyCOEXRNQVVFOVRU-UHFFFAOYSA-N
MW240.10 g/mol
LogP0.61
Rot. Bonds

About 2H-2-benzazepin-6-ol;hydrobromide

2H-2-benzazepin-6-ol;hydrobromide (PubChem CID 141074641) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 2H-2-benzazepin-6-ol;hydrobromide.

Molecular Properties

Compound Name2H-2-benzazepin-6-ol;hydrobromide
PubChem CID141074641
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name2H-2-benzazepin-6-ol;hydrobromide
SMILESBr.Oc1cccc2c1=CC=CNC=2
InChIInChI=1S/C10H9NO.BrH/c12-10-5-1-3-8-7-11-6-2-4-9(8)10;/h1-7,11-12H;1H
InChIKeyCOEXRNQVVFOVRU-UHFFFAOYSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2H-2-benzazepin-6-ol
CID 18004599
5-Hydroxycyclohepta[1,2-c]pyridine
CID 21276159
2H-2-benzazepin-4-ol
CID 87766208
1-(1H-azepin-4-yl)ethanol
CID 89156860
2,3-Dihydroisoquinolin-5-ol
CID 91247829
1H-cyclohepta[b]pyridine-5,9-diol
CID 144171832
1H-cyclohepta[b]pyridin-5-ol
CID 153721175
2H-2-benzazepin-5-ol
CID 154081445
5,6-Bis(aminomethylidene)cyclohexa-1,3-dien-1-ol
CID 163516824
2H-cyclohepta[c]pyridin-4-ol
CID 171853945
1-Amino-1-(1,2-dihydropyridin-4-yl)prop-2-en-1-ol
CID 174294309

Frequently Asked Questions

What is the IUPAC name of 2H-2-benzazepin-6-ol;hydrobromide?
The IUPAC name of 2H-2-benzazepin-6-ol;hydrobromide (CID 141074641) is 2H-2-benzazepin-6-ol;hydrobromide.
What is the SMILES notation for 2H-2-benzazepin-6-ol;hydrobromide?
The canonical SMILES for 2H-2-benzazepin-6-ol;hydrobromide is Br.Oc1cccc2c1=CC=CNC=2.
What is the InChIKey of 2H-2-benzazepin-6-ol;hydrobromide?
The InChIKey is COEXRNQVVFOVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.BrH/c12-10-5-1-3-8-7-11-6-2-4-9(8)10;/h1-7,11-12H;1H.
What are the key properties of 2H-2-benzazepin-6-ol;hydrobromide?
2H-2-benzazepin-6-ol;hydrobromide has a molecular weight of 240.10 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-2-benzazepin-6-ol;hydrobromide is sourced from PubChem (CID 141074641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).