CID 173276490

C4H11BrIn — CID 173276490

IUPAC—
SMILESBr.CC[In]CC
InChIInChI=1S/2C2H5.BrH.In/c2*1-2;;/h2*1H2,2H3;1H;
InChIKeyNMJDUEFZOFEWKV-UHFFFAOYSA-N
MW253.85 g/mol
LogP2.14
Rot. Bonds2

About CID 173276490

CID 173276490 (PubChem CID 173276490) has the molecular formula C4H11BrIn and a molecular weight of 253.85 g/mol.

Molecular Properties

Compound NameCID 173276490
PubChem CID173276490
Molecular FormulaC4H11BrIn
Molecular Weight253.85 g/mol
Exact Mass252.91
IUPAC Name—
SMILESBr.CC[In]CC
InChIInChI=1S/2C2H5.BrH.In/c2*1-2;;/h2*1H2,2H3;1H;
InChIKeyNMJDUEFZOFEWKV-UHFFFAOYSA-N
XLogP2.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.85
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze CID 173276490 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 6329161
CID 6329161
butane;octahydrofluoride
CID 173254735
ethane;propane;hydrofluoride
CID 144867037
butane;pentahydrofluoride
CID 158827877
ethylsulfanylphosphane;hydrobromide
CID 174866217
alumane;butane;hydrofluoride
CID 173001006
CID 88796917
CID 88796917
butane;germane;dihydrobromide
CID 173448977
ethanamine;dihydrofluoride
CID 173025850
alumane;butane;dihydrobromide
CID 173417266
boranuide;methylphosphanium
CID 139855120
potassium;boranuide;ethanol
CID 174924837

Frequently Asked Questions

What is the IUPAC name of CID 173276490?
The IUPAC name of CID 173276490 (CID 173276490) is not available.
What is the SMILES notation for CID 173276490?
The canonical SMILES for CID 173276490 is Br.CC[In]CC.
What is the InChIKey of CID 173276490?
The InChIKey is NMJDUEFZOFEWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5.BrH.In/c2*1-2;;/h2*1H2,2H3;1H;.
What are the key properties of CID 173276490?
CID 173276490 has a molecular weight of 253.85 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173276490 is sourced from PubChem (CID 173276490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).