5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-iodopyridine

C10H3Br2Cl2IN2 — CID 71817594

IUPAC5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-iodopyridine
SMILESClc1cc(-c2c(Br)cnc(Cl)c2I)c(Br)cn1
InChIInChI=1S/C10H3Br2Cl2IN2/c11-5-2-16-7(13)1-4(5)8-6(12)3-17-10(14)9(8)15/h1-3H
InChIKeyXSDSKCIPSPYJLX-UHFFFAOYSA-N
MW508.77 g/mol
LogP5.58
Rot. Bonds1

About 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-iodopyridine

5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-iodopyridine (PubChem CID 71817594) has the molecular formula C10H3Br2Cl2IN2 and a molecular weight of 508.77 g/mol. Its IUPAC name is 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-iodopyridine.

Molecular Properties

Compound Name5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-iodopyridine
PubChem CID71817594
Molecular FormulaC10H3Br2Cl2IN2
Molecular Weight508.77 g/mol
Exact Mass505.71
IUPAC Name5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-iodopyridine
SMILESClc1cc(-c2c(Br)cnc(Cl)c2I)c(Br)cn1
InChIInChI=1S/C10H3Br2Cl2IN2/c11-5-2-16-7(13)1-4(5)8-6(12)3-17-10(14)9(8)15/h1-3H
InChIKeyXSDSKCIPSPYJLX-UHFFFAOYSA-N
XLogP5.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.77
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-2-chloro-4-methylpyridine
CID 2734427
3-(6-Chloropyridin-3-yl)pyridine
CID 10081254
3-Bromo-4-(3-bromopyridin-4-yl)pyridine
CID 817360
5-Bromo-2-chloro-4-iodopyridine
CID 21865140
5-Bromo-2-chloro-4-(trifluoromethyl)pyridine
CID 37859478
2,2'-Dichloro-3,4'-bipyridine
CID 11299081
3-Bromo-4,4'-bipyridine
CID 817363
2-Chloro-5-(pyridin-4-yl)pyridine
CID 4620853
2,2'-Dichloro-4,4'-bipyridine
CID 5172097
5-Bromo-4-(bromomethyl)-2-chloropyridine
CID 11483026
5-Bromo-2,4-dichloropyridine
CID 12175133
6,6'-Dichloro-3,3'-bipyridine
CID 42552995

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-iodopyridine?
The IUPAC name of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-iodopyridine (CID 71817594) is 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-iodopyridine.
What is the SMILES notation for 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-iodopyridine?
The canonical SMILES for 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-iodopyridine is Clc1cc(-c2c(Br)cnc(Cl)c2I)c(Br)cn1.
What is the InChIKey of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-iodopyridine?
The InChIKey is XSDSKCIPSPYJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3Br2Cl2IN2/c11-5-2-16-7(13)1-4(5)8-6(12)3-17-10(14)9(8)15/h1-3H.
What are the key properties of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-iodopyridine?
5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-iodopyridine has a molecular weight of 508.77 g/mol, XLogP of 5.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-iodopyridine is sourced from PubChem (CID 71817594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).