CID 158261979

C14H10BrNO2 — CID 158261979

IUPAC—
SMILESNBr.O=C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C14H8O2.BrH2N/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-2/h1-8H;2H2
InChIKeyGHZBTJHYJWBKEA-UHFFFAOYSA-N
MW304.14 g/mol
LogP2.72
Rot. Bonds

About CID 158261979

CID 158261979 (PubChem CID 158261979) has the molecular formula C14H10BrNO2 and a molecular weight of 304.14 g/mol.

Molecular Properties

Compound NameCID 158261979
PubChem CID158261979
Molecular FormulaC14H10BrNO2
Molecular Weight304.14 g/mol
Exact Mass302.99
IUPAC Name—
SMILESNBr.O=C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C14H8O2.BrH2N/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-2/h1-8H;2H2
InChIKeyGHZBTJHYJWBKEA-UHFFFAOYSA-N
XLogP2.72
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

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CID 67824005
anthracene-9,10-dione;hydrofluoride
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lithium;anthracene-9,10-dione;hydride
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anthracene-9,10-dione;platinum(2+);dichloride
CID 174702138
anthracene-9,10-dione;hydrate;hydrochloride
CID 177309925
sodium;fluoren-9-one;hydride
CID 174594472
anthracene-9,10-dione;carbamic acid
CID 70556478
CID 158452185
CID 158452185
phenanthrene-9,10-dione
CID 6763
2,3-diaminonaphthalene-1,4-dione
CID 4167268
anthracene-9,10-dione;propane
CID 162068050

Frequently Asked Questions

What is the IUPAC name of CID 158261979?
The IUPAC name of CID 158261979 (CID 158261979) is not available.
What is the SMILES notation for CID 158261979?
The canonical SMILES for CID 158261979 is NBr.O=C1c2ccccc2C(=O)c2ccccc21.
What is the InChIKey of CID 158261979?
The InChIKey is GHZBTJHYJWBKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2.BrH2N/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-2/h1-8H;2H2.
What are the key properties of CID 158261979?
CID 158261979 has a molecular weight of 304.14 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158261979 is sourced from PubChem (CID 158261979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).