bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;carbononitridic bromide

C7H4BrNO — CID 174721546

IUPACbicyclo[3.1.0]hexa-1,3,5-trien-2-ol;carbononitridic bromide
SMILESN#CBr.Oc1ccc2cc1-2
InChIInChI=1S/C6H4O.CBrN/c7-6-2-1-4-3-5(4)6;2-1-3/h1-3,7H;
InChIKeyPZYLAEYPWIWGKM-UHFFFAOYSA-N
MW198.02 g/mol
LogP2.23
Rot. Bonds

About bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;carbononitridic bromide

bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;carbononitridic bromide (PubChem CID 174721546) has the molecular formula C7H4BrNO and a molecular weight of 198.02 g/mol. Its IUPAC name is bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;carbononitridic bromide.

Molecular Properties

Compound Namebicyclo[3.1.0]hexa-1,3,5-trien-2-ol;carbononitridic bromide
PubChem CID174721546
Molecular FormulaC7H4BrNO
Molecular Weight198.02 g/mol
Exact Mass196.95
IUPAC Namebicyclo[3.1.0]hexa-1,3,5-trien-2-ol;carbononitridic bromide
SMILESN#CBr.Oc1ccc2cc1-2
InChIInChI=1S/C6H4O.CBrN/c7-6-2-1-4-3-5(4)6;2-1-3/h1-3,7H;
InChIKeyPZYLAEYPWIWGKM-UHFFFAOYSA-N
XLogP2.23
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.02
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;carbononitridic bromide?
The IUPAC name of bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;carbononitridic bromide (CID 174721546) is bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;carbononitridic bromide.
What is the SMILES notation for bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;carbononitridic bromide?
The canonical SMILES for bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;carbononitridic bromide is N#CBr.Oc1ccc2cc1-2.
What is the InChIKey of bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;carbononitridic bromide?
The InChIKey is PZYLAEYPWIWGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O.CBrN/c7-6-2-1-4-3-5(4)6;2-1-3/h1-3,7H;.
What are the key properties of bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;carbononitridic bromide?
bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;carbononitridic bromide has a molecular weight of 198.02 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexa-1,3,5-trien-2-ol;carbononitridic bromide is sourced from PubChem (CID 174721546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).