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

C11H6Br2Cl2N2 — CID 71817599

IUPAC5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-methylpyridine
SMILESCc1c(Cl)ncc(Br)c1-c1cc(Cl)ncc1Br
InChIInChI=1S/C11H6Br2Cl2N2/c1-5-10(8(13)4-17-11(5)15)6-2-9(14)16-3-7(6)12/h2-4H,1H3
InChIKeyOBFYYRGHRQBHPU-UHFFFAOYSA-N
MW396.90 g/mol
LogP5.28
Rot. Bonds1

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

5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-methylpyridine (PubChem CID 71817599) has the molecular formula C11H6Br2Cl2N2 and a molecular weight of 396.90 g/mol. Its IUPAC name is 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-methylpyridine.

Molecular Properties

Compound Name5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-methylpyridine
PubChem CID71817599
Molecular FormulaC11H6Br2Cl2N2
Molecular Weight396.90 g/mol
Exact Mass393.83
IUPAC Name5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-methylpyridine
SMILESCc1c(Cl)ncc(Br)c1-c1cc(Cl)ncc1Br
InChIInChI=1S/C11H6Br2Cl2N2/c1-5-10(8(13)4-17-11(5)15)6-2-9(14)16-3-7(6)12/h2-4H,1H3
InChIKeyOBFYYRGHRQBHPU-UHFFFAOYSA-N
XLogP5.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.90
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-2-chloro-3-methylpyridine
CID 285434
5-Bromo-2-chloro-4-methylpyridine
CID 2734427
2-Chloro-5-(1-methylpyridin-1-ium-3-yl)pyridine iodide
CID 10854065
3-(6-Chloropyridin-3-yl)pyridine
CID 10081254
3-Bromo-4-(3-bromopyridin-4-yl)pyridine
CID 817360
5-Bromo-2-chloro-4-(trifluoromethyl)pyridine
CID 37859478
3-Bromo-2-chloro-5-methylpyridine
CID 285437
6,6'-Dibromo-3,3'bipyridine
CID 6426300
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-methylpyridine?
The IUPAC name of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-methylpyridine (CID 71817599) is 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-methylpyridine.
What is the SMILES notation for 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-methylpyridine?
The canonical SMILES for 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-methylpyridine is Cc1c(Cl)ncc(Br)c1-c1cc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-methylpyridine?
The InChIKey is OBFYYRGHRQBHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2Cl2N2/c1-5-10(8(13)4-17-11(5)15)6-2-9(14)16-3-7(6)12/h2-4H,1H3.
What are the key properties of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-methylpyridine?
5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-methylpyridine has a molecular weight of 396.90 g/mol, XLogP of 5.28, 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-methylpyridine is sourced from PubChem (CID 71817599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).