1H-azepin-2-ol;hydrobromide

C6H8BrNO — CID 175238439

IUPAC1H-azepin-2-ol;hydrobromide
SMILESBr.OC1=CC=CC=CN1
InChIInChI=1S/C6H7NO.BrH/c8-6-4-2-1-3-5-7-6;/h1-5,7-8H;1H
InChIKeyVVXGCILVBOTUPG-UHFFFAOYSA-N
MW190.04 g/mol
LogP1.64
Rot. Bonds

About 1H-azepin-2-ol;hydrobromide

1H-azepin-2-ol;hydrobromide (PubChem CID 175238439) has the molecular formula C6H8BrNO and a molecular weight of 190.04 g/mol. Its IUPAC name is 1H-azepin-2-ol;hydrobromide.

Molecular Properties

Compound Name1H-azepin-2-ol;hydrobromide
PubChem CID175238439
Molecular FormulaC6H8BrNO
Molecular Weight190.04 g/mol
Exact Mass188.98
IUPAC Name1H-azepin-2-ol;hydrobromide
SMILESBr.OC1=CC=CC=CN1
InChIInChI=1S/C6H7NO.BrH/c8-6-4-2-1-3-5-7-6;/h1-5,7-8H;1H
InChIKeyVVXGCILVBOTUPG-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-azepin-2-ol;hydrobromide?
The IUPAC name of 1H-azepin-2-ol;hydrobromide (CID 175238439) is 1H-azepin-2-ol;hydrobromide.
What is the SMILES notation for 1H-azepin-2-ol;hydrobromide?
The canonical SMILES for 1H-azepin-2-ol;hydrobromide is Br.OC1=CC=CC=CN1.
What is the InChIKey of 1H-azepin-2-ol;hydrobromide?
The InChIKey is VVXGCILVBOTUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.BrH/c8-6-4-2-1-3-5-7-6;/h1-5,7-8H;1H.
What are the key properties of 1H-azepin-2-ol;hydrobromide?
1H-azepin-2-ol;hydrobromide has a molecular weight of 190.04 g/mol, XLogP of 1.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepin-2-ol;hydrobromide is sourced from PubChem (CID 175238439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).