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

C22H13Br2Cl2N2OP — CID 71817751

IUPAC5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-diphenylphosphorylpyridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1c(Cl)ncc(Br)c1-c1cc(Cl)ncc1Br
InChIInChI=1S/C22H13Br2Cl2N2OP/c23-17-12-27-19(25)11-16(17)20-18(24)13-28-22(26)21(20)30(29,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H
InChIKeyHANHPMFGNSWNPF-UHFFFAOYSA-N
MW583.05 g/mol
LogP6.61
Rot. Bonds4

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

5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-diphenylphosphorylpyridine (PubChem CID 71817751) has the molecular formula C22H13Br2Cl2N2OP and a molecular weight of 583.05 g/mol. Its IUPAC name is 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-diphenylphosphorylpyridine.

Molecular Properties

Compound Name5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-diphenylphosphorylpyridine
PubChem CID71817751
Molecular FormulaC22H13Br2Cl2N2OP
Molecular Weight583.05 g/mol
Exact Mass579.85
IUPAC Name5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-diphenylphosphorylpyridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1c(Cl)ncc(Br)c1-c1cc(Cl)ncc1Br
InChIInChI=1S/C22H13Br2Cl2N2OP/c23-17-12-27-19(25)11-16(17)20-18(24)13-28-22(26)21(20)30(29,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H
InChIKeyHANHPMFGNSWNPF-UHFFFAOYSA-N
XLogP6.61
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.05
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine
CID 46220750
6-(4-Bromophenyl)-4-(3-chlorophenyl)-2,2'-bipyridine
CID 139238579
4-[5-Bromo-2-(4-fluorophenyl)-3-pyridinyl]-2-chloro-6-methylpyridine
CID 154963221
5-Bromo-2-chloro-4-iodopyridine;5-bromo-2-chloro-4-[4-(trifluoromethyl)phenyl]pyridine
CID 161009690
2-Chloro-5-[4-[4-(6-chloro-3-pyridinyl)phenyl]phenyl]pyridine
CID 10785804
6-Bromo-6'-chloro-3,3'-bipyridine
CID 42553023
3-Bromo-2,2'-dichloro-[4,4']bipyridinyl
CID 46220755
3-Bromo-4-[3-bromo-5-(4-chlorophenyl)-4-pyridinyl]-5-(4-chlorophenyl)pyridine
CID 57342781
4-(4-Bromophenyl)-6-(4-chlorophenyl)-2,2'-bipyridine
CID 66554011
5-Bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-iodopyridine
CID 71817594
5-Bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(2-phenylethynyl)pyridine
CID 71817596
5-Bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-methylpyridine
CID 71817599

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-diphenylphosphorylpyridine?
The IUPAC name of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-diphenylphosphorylpyridine (CID 71817751) is 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-diphenylphosphorylpyridine.
What is the SMILES notation for 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-diphenylphosphorylpyridine?
The canonical SMILES for 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-diphenylphosphorylpyridine is O=P(c1ccccc1)(c1ccccc1)c1c(Cl)ncc(Br)c1-c1cc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-diphenylphosphorylpyridine?
The InChIKey is HANHPMFGNSWNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Br2Cl2N2OP/c23-17-12-27-19(25)11-16(17)20-18(24)13-28-22(26)21(20)30(29,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H.
What are the key properties of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-diphenylphosphorylpyridine?
5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-diphenylphosphorylpyridine has a molecular weight of 583.05 g/mol, XLogP of 6.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-diphenylphosphorylpyridine is sourced from PubChem (CID 71817751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).