4-[5-bromo-2-(4-fluorophenyl)-3-pyridinyl]-2-chloro-6-methylpyridine

C17H11BrClFN2 — CID 154963221

IUPAC4-[5-bromo-2-(4-fluorophenyl)-3-pyridinyl]-2-chloro-6-methylpyridine
SMILESCc1cc(-c2cc(Br)cnc2-c2ccc(F)cc2)cc(Cl)n1
InChIInChI=1S/C17H11BrClFN2/c1-10-6-12(7-16(19)22-10)15-8-13(18)9-21-17(15)11-2-4-14(20)5-3-11/h2-9H,1H3
InChIKeyGVAGHDHHXPNRFJ-UHFFFAOYSA-N
MW377.64 g/mol
LogP5.67
Rot. Bonds2

About 4-[5-bromo-2-(4-fluorophenyl)-3-pyridinyl]-2-chloro-6-methylpyridine

4-[5-bromo-2-(4-fluorophenyl)-3-pyridinyl]-2-chloro-6-methylpyridine (PubChem CID 154963221) has the molecular formula C17H11BrClFN2 and a molecular weight of 377.64 g/mol. Its IUPAC name is 4-[5-bromo-2-(4-fluorophenyl)-3-pyridinyl]-2-chloro-6-methylpyridine.

Molecular Properties

Compound Name4-[5-bromo-2-(4-fluorophenyl)-3-pyridinyl]-2-chloro-6-methylpyridine
PubChem CID154963221
Molecular FormulaC17H11BrClFN2
Molecular Weight377.64 g/mol
Exact Mass375.98
IUPAC Name4-[5-bromo-2-(4-fluorophenyl)-3-pyridinyl]-2-chloro-6-methylpyridine
SMILESCc1cc(-c2cc(Br)cnc2-c2ccc(F)cc2)cc(Cl)n1
InChIInChI=1S/C17H11BrClFN2/c1-10-6-12(7-16(19)22-10)15-8-13(18)9-21-17(15)11-2-4-14(20)5-3-11/h2-9H,1H3
InChIKeyGVAGHDHHXPNRFJ-UHFFFAOYSA-N
XLogP5.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.64
LogP ≤ 55.67
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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Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-2-(4-fluorophenyl)-3-pyridinyl]-2-chloro-6-methylpyridine?
The IUPAC name of 4-[5-bromo-2-(4-fluorophenyl)-3-pyridinyl]-2-chloro-6-methylpyridine (CID 154963221) is 4-[5-bromo-2-(4-fluorophenyl)-3-pyridinyl]-2-chloro-6-methylpyridine.
What is the SMILES notation for 4-[5-bromo-2-(4-fluorophenyl)-3-pyridinyl]-2-chloro-6-methylpyridine?
The canonical SMILES for 4-[5-bromo-2-(4-fluorophenyl)-3-pyridinyl]-2-chloro-6-methylpyridine is Cc1cc(-c2cc(Br)cnc2-c2ccc(F)cc2)cc(Cl)n1.
What is the InChIKey of 4-[5-bromo-2-(4-fluorophenyl)-3-pyridinyl]-2-chloro-6-methylpyridine?
The InChIKey is GVAGHDHHXPNRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrClFN2/c1-10-6-12(7-16(19)22-10)15-8-13(18)9-21-17(15)11-2-4-14(20)5-3-11/h2-9H,1H3.
What are the key properties of 4-[5-bromo-2-(4-fluorophenyl)-3-pyridinyl]-2-chloro-6-methylpyridine?
4-[5-bromo-2-(4-fluorophenyl)-3-pyridinyl]-2-chloro-6-methylpyridine has a molecular weight of 377.64 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-2-(4-fluorophenyl)-3-pyridinyl]-2-chloro-6-methylpyridine is sourced from PubChem (CID 154963221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).