3-bromo-6-(4-fluorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]pyridine

C22H13BrF2N2 — CID 20822452

IUPAC3-bromo-6-(4-fluorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]pyridine
SMILESFc1ccc(-c2cccc(-c3nc(-c4ccc(F)cc4)ccc3Br)n2)cc1
InChIInChI=1S/C22H13BrF2N2/c23-18-12-13-20(15-6-10-17(25)11-7-15)27-22(18)21-3-1-2-19(26-21)14-4-8-16(24)9-5-14/h1-13H
InChIKeyUDLNVVUSDGCJRX-UHFFFAOYSA-N
MW423.26 g/mol
LogP6.52
Rot. Bonds3

About 3-bromo-6-(4-fluorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]pyridine

3-bromo-6-(4-fluorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]pyridine (PubChem CID 20822452) has the molecular formula C22H13BrF2N2 and a molecular weight of 423.26 g/mol. Its IUPAC name is 3-bromo-6-(4-fluorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name3-bromo-6-(4-fluorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]pyridine
PubChem CID20822452
Molecular FormulaC22H13BrF2N2
Molecular Weight423.26 g/mol
Exact Mass422.02
IUPAC Name3-bromo-6-(4-fluorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]pyridine
SMILESFc1ccc(-c2cccc(-c3nc(-c4ccc(F)cc4)ccc3Br)n2)cc1
InChIInChI=1S/C22H13BrF2N2/c23-18-12-13-20(15-6-10-17(25)11-7-15)27-22(18)21-3-1-2-19(26-21)14-4-8-16(24)9-5-14/h1-13H
InChIKeyUDLNVVUSDGCJRX-UHFFFAOYSA-N
XLogP6.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.26
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-Bromoacridine
CID 15588290
2-Bromo-6-phenylpyridine
CID 568679
2-Bromo-4,6-diphenylnicotinonitrile
CID 818430
2-(4-Bromophenyl)-4,6-diphenylpyridine
CID 2801866
4'-(4-Bromophenyl)-2,2':6',2''-terpyridine
CID 10762837
2-Bromo-4-(3-fluoro-phenyl)-6-phenyl-nicotinonitrile
CID 1105833
6-Bromo-2-(4-fluorophenyl)-4-phenylquinoline
CID 132547244
2,6-Bis(4-fluorophenyl)pyridine
CID 11391493
2-(3-Bromophenyl)-4-phenylquinoline
CID 30331091
4-(4-Fluorophenyl)-2,6-diphenylpyridine
CID 629756
2,3-Bis(4-bromophenyl)quinoxaline
CID 554977
4-(4-Bromophenyl)-2,6-diphenylpyridine
CID 633486

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(4-fluorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]pyridine?
The IUPAC name of 3-bromo-6-(4-fluorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]pyridine (CID 20822452) is 3-bromo-6-(4-fluorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 3-bromo-6-(4-fluorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]pyridine?
The canonical SMILES for 3-bromo-6-(4-fluorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]pyridine is Fc1ccc(-c2cccc(-c3nc(-c4ccc(F)cc4)ccc3Br)n2)cc1.
What is the InChIKey of 3-bromo-6-(4-fluorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]pyridine?
The InChIKey is UDLNVVUSDGCJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrF2N2/c23-18-12-13-20(15-6-10-17(25)11-7-15)27-22(18)21-3-1-2-19(26-21)14-4-8-16(24)9-5-14/h1-13H.
What are the key properties of 3-bromo-6-(4-fluorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]pyridine?
3-bromo-6-(4-fluorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]pyridine has a molecular weight of 423.26 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(4-fluorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 20822452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).