5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(4-methoxyphenyl)pyridine

C17H10Br2Cl2N2O — CID 71817753

IUPAC5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(4-methoxyphenyl)pyridine
SMILESCOc1ccc(-c2c(Cl)ncc(Br)c2-c2cc(Cl)ncc2Br)cc1
InChIInChI=1S/C17H10Br2Cl2N2O/c1-24-10-4-2-9(3-5-10)15-16(13(19)8-23-17(15)21)11-6-14(20)22-7-12(11)18/h2-8H,1H3
InChIKeyOEXQFQABKHCBPN-UHFFFAOYSA-N
MW488.99 g/mol
LogP6.65
Rot. Bonds3

About 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(4-methoxyphenyl)pyridine

5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(4-methoxyphenyl)pyridine (PubChem CID 71817753) has the molecular formula C17H10Br2Cl2N2O and a molecular weight of 488.99 g/mol. Its IUPAC name is 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(4-methoxyphenyl)pyridine.

Molecular Properties

Compound Name5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(4-methoxyphenyl)pyridine
PubChem CID71817753
Molecular FormulaC17H10Br2Cl2N2O
Molecular Weight488.99 g/mol
Exact Mass485.85
IUPAC Name5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(4-methoxyphenyl)pyridine
SMILESCOc1ccc(-c2c(Cl)ncc(Br)c2-c2cc(Cl)ncc2Br)cc1
InChIInChI=1S/C17H10Br2Cl2N2O/c1-24-10-4-2-9(3-5-10)15-16(13(19)8-23-17(15)21)11-6-14(20)22-7-12(11)18/h2-8H,1H3
InChIKeyOEXQFQABKHCBPN-UHFFFAOYSA-N
XLogP6.65
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.99
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(4-methoxyphenyl)pyridine?
The IUPAC name of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(4-methoxyphenyl)pyridine (CID 71817753) is 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(4-methoxyphenyl)pyridine.
What is the SMILES notation for 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(4-methoxyphenyl)pyridine?
The canonical SMILES for 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(4-methoxyphenyl)pyridine is COc1ccc(-c2c(Cl)ncc(Br)c2-c2cc(Cl)ncc2Br)cc1.
What is the InChIKey of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(4-methoxyphenyl)pyridine?
The InChIKey is OEXQFQABKHCBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Br2Cl2N2O/c1-24-10-4-2-9(3-5-10)15-16(13(19)8-23-17(15)21)11-6-14(20)22-7-12(11)18/h2-8H,1H3.
What are the key properties of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(4-methoxyphenyl)pyridine?
5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(4-methoxyphenyl)pyridine has a molecular weight of 488.99 g/mol, XLogP of 6.65, 3 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-(4-methoxyphenyl)pyridine is sourced from PubChem (CID 71817753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).