CID 143055728

C5H2BBr2N — CID 143055728

IUPAC—
SMILES[B]c1nc(Br)ccc1Br
InChIInChI=1S/C5H2BBr2N/c6-5-3(7)1-2-4(8)9-5/h1-2H
InChIKeyGJVYWYHWCBYSFS-UHFFFAOYSA-N
MW246.70 g/mol
LogP1.40
Rot. Bonds

About CID 143055728

CID 143055728 (PubChem CID 143055728) has the molecular formula C5H2BBr2N and a molecular weight of 246.70 g/mol.

Molecular Properties

Compound NameCID 143055728
PubChem CID143055728
Molecular FormulaC5H2BBr2N
Molecular Weight246.70 g/mol
Exact Mass244.86
IUPAC Name—
SMILES[B]c1nc(Br)ccc1Br
InChIInChI=1S/C5H2BBr2N/c6-5-3(7)1-2-4(8)9-5/h1-2H
InChIKeyGJVYWYHWCBYSFS-UHFFFAOYSA-N
XLogP1.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 89035932
CID 89035932
3,6-dibromo-2-isocyanopyridine
CID 140826022
3,6-dibromopyridine-2-carbonyl iodide
CID 129069196
2,5-dibromoquinolin-8-ol
CID 10881208
3,6-dibromo-2-pyridin-2-ylpyridine
CID 151353740
2,5-dibromo-8-methoxyquinoline
CID 102941160
2,6-dibromopyridine-3-sulfonic acid
CID 87775668
CID 153373695
CID 153373695
6-bromo-2-iodo-3-methylpyridine
CID 131090886
6-bromo-3-fluoro-2-methylpyridine
CID 118703748
2,6-dibromo-3-(bromomethyl)pyridine
CID 817159
6-bromo-3-chloro-2-iodopyridine
CID 130114975

Frequently Asked Questions

What is the IUPAC name of CID 143055728?
The IUPAC name of CID 143055728 (CID 143055728) is not available.
What is the SMILES notation for CID 143055728?
The canonical SMILES for CID 143055728 is [B]c1nc(Br)ccc1Br.
What is the InChIKey of CID 143055728?
The InChIKey is GJVYWYHWCBYSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BBr2N/c6-5-3(7)1-2-4(8)9-5/h1-2H.
What are the key properties of CID 143055728?
CID 143055728 has a molecular weight of 246.70 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143055728 is sourced from PubChem (CID 143055728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).