CID 59369489

C7H5Br — CID 59369489

IUPAC—
SMILES[CH]c1ccccc1Br
InChIInChI=1S/C7H5Br/c1-6-4-2-3-5-7(6)8/h1-5H
InChIKeyXRCWDWFJKZFGMH-UHFFFAOYSA-N
MW169.02 g/mol
LogP2.51
Rot. Bonds

About CID 59369489

CID 59369489 (PubChem CID 59369489) has the molecular formula C7H5Br and a molecular weight of 169.02 g/mol.

Molecular Properties

Compound NameCID 59369489
PubChem CID59369489
Molecular FormulaC7H5Br
Molecular Weight169.02 g/mol
Exact Mass167.96
IUPAC Name—
SMILES[CH]c1ccccc1Br
InChIInChI=1S/C7H5Br/c1-6-4-2-3-5-7(6)8/h1-5H
InChIKeyXRCWDWFJKZFGMH-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.02
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze CID 59369489 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

2-bromoaniline
CID 162048621
6-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-thiol
CID 71309862
2-bromo-6-(2-bromophenyl)benzaldehyde
CID 90419331
1,2-bis(2-bromophenyl)hydrazine
CID 139124202
azane;1-bromo-2-iodobenzene
CID 139491171
sodium 2-bromophenolate
CID 20610457
(2-bromophenyl)azanide;yttrium
CID 176967100
2-bromobenzenethiol;zinc
CID 158336456
tetrakis(2-bromophenolate);hafnium(4+)
CID 102051879
1-bromo-2-(2-bromophenoxy)benzene
CID 3465096
2-bromobenzenesulfonate
CID 23001018
2-bromobenzenesulfonamide;hydrochloride
CID 172836390

Frequently Asked Questions

What is the IUPAC name of CID 59369489?
The IUPAC name of CID 59369489 (CID 59369489) is not available.
What is the SMILES notation for CID 59369489?
The canonical SMILES for CID 59369489 is [CH]c1ccccc1Br.
What is the InChIKey of CID 59369489?
The InChIKey is XRCWDWFJKZFGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br/c1-6-4-2-3-5-7(6)8/h1-5H.
What are the key properties of CID 59369489?
CID 59369489 has a molecular weight of 169.02 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59369489 is sourced from PubChem (CID 59369489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).