CID 157260867

C5H9BBr — CID 157260867

IUPAC—
SMILESC[B]/C=C/CCBr
InChIInChI=1S/C5H9BBr/c1-6-4-2-3-5-7/h2,4H,3,5H2,1H3/b4-2+
InChIKeyOGEDVJHFVUWEOB-DUXPYHPUSA-N
MW159.84 g/mol
LogP2.04
Rot. Bonds3

About CID 157260867

CID 157260867 (PubChem CID 157260867) has the molecular formula C5H9BBr and a molecular weight of 159.84 g/mol.

Molecular Properties

Compound NameCID 157260867
PubChem CID157260867
Molecular FormulaC5H9BBr
Molecular Weight159.84 g/mol
Exact Mass159.00
IUPAC Name—
SMILESC[B]/C=C/CCBr
InChIInChI=1S/C5H9BBr/c1-6-4-2-3-5-7/h2,4H,3,5H2,1H3/b4-2+
InChIKeyOGEDVJHFVUWEOB-DUXPYHPUSA-N
XLogP2.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.84
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 157260867 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

(E)-1,4-dibromobut-1-ene
CID 14316427
(2E,4E)-7-bromohepta-2,4-diene
CID 12853153
1-bromo-6-methylhept-3-ene
CID 79006953
(3Z,6Z)-1-bromonona-3,6-diene
CID 14077874
1-bromoundec-3-ene
CID 54069038
4-bromobut-1-enyl hypofluorite
CID 173399469
(E)-6-bromohex-3-enal
CID 131237482
(E)-5-bromopent-2-enoic acid
CID 19912723
5-bromopent-2-enoic acid
CID 54205255
methyl 6-bromohex-3-enoate
CID 54416291
(Z)-1-bromo-6-[[(Z)-6-bromohex-3-enoxy]methoxymethoxy]hex-3-ene
CID 175229356
1-(4-bromobut-1-enyl)-3,4-difluoro-2-methylbenzene
CID 170497285

Frequently Asked Questions

What is the IUPAC name of CID 157260867?
The IUPAC name of CID 157260867 (CID 157260867) is not available.
What is the SMILES notation for CID 157260867?
The canonical SMILES for CID 157260867 is C[B]/C=C/CCBr.
What is the InChIKey of CID 157260867?
The InChIKey is OGEDVJHFVUWEOB-DUXPYHPUSA-N. The full InChI is InChI=1S/C5H9BBr/c1-6-4-2-3-5-7/h2,4H,3,5H2,1H3/b4-2+.
What are the key properties of CID 157260867?
CID 157260867 has a molecular weight of 159.84 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157260867 is sourced from PubChem (CID 157260867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).