CID 175102486

C6H4BrInO — CID 175102486

IUPAC—
SMILESOc1cc(Br)ccc1[In]
InChIInChI=1S/C6H4BrO.In/c7-5-2-1-3-6(8)4-5;/h1-2,4,8H;
InChIKeyQLEKJYYQRZNTJO-UHFFFAOYSA-N
MW286.82 g/mol
LogP0.95
Rot. Bonds

About CID 175102486

CID 175102486 (PubChem CID 175102486) has the molecular formula C6H4BrInO and a molecular weight of 286.82 g/mol.

Molecular Properties

Compound NameCID 175102486
PubChem CID175102486
Molecular FormulaC6H4BrInO
Molecular Weight286.82 g/mol
Exact Mass285.85
IUPAC Name—
SMILESOc1cc(Br)ccc1[In]
InChIInChI=1S/C6H4BrO.In/c7-5-2-1-3-6(8)4-5;/h1-2,4,8H;
InChIKeyQLEKJYYQRZNTJO-UHFFFAOYSA-N
XLogP0.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.82
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze CID 175102486 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 156868368
CID 156868368
5-bromo-2-(4-bromo-N-(4-bromo-2-hydroxyphenyl)-2-hydroxyanilino)phenol
CID 71416248
5-bromo-2-hydroperoxyphenol
CID 88803523
5-bromo-2-methylsulfanylphenol
CID 21187949
5-bromo-2-[(1S)-1-hydroxyethyl]phenol
CID 102949153
2,4-dibromophenol;methanol
CID 174690931
4-bromo-1,2-dideuteriooxybenzene
CID 168744345
4-bromo-2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]phenol
CID 23471173
2-amino-5-bromophenol;2-methylpropane
CID 143907828
azane;4-bromo-2-hydroxybenzonitrile
CID 135147435
2-amino-4-bromophenol;hydrochloride
CID 46738123
2-(4-bromo-2-hydroxyphenyl)-2-oxoacetic acid
CID 47002632

Frequently Asked Questions

What is the IUPAC name of CID 175102486?
The IUPAC name of CID 175102486 (CID 175102486) is not available.
What is the SMILES notation for CID 175102486?
The canonical SMILES for CID 175102486 is Oc1cc(Br)ccc1[In].
What is the InChIKey of CID 175102486?
The InChIKey is QLEKJYYQRZNTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrO.In/c7-5-2-1-3-6(8)4-5;/h1-2,4,8H;.
What are the key properties of CID 175102486?
CID 175102486 has a molecular weight of 286.82 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175102486 is sourced from PubChem (CID 175102486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).