3-[3-bromo-5-(2,6-difluoro-3-pyridinyl)phenyl]-2,6-difluoropyridine

C16H7BrF4N2 — CID 70974130

IUPAC3-[3-bromo-5-(2,6-difluoro-3-pyridinyl)phenyl]-2,6-difluoropyridine
SMILESFc1ccc(-c2cc(Br)cc(-c3ccc(F)nc3F)c2)c(F)n1
InChIInChI=1S/C16H7BrF4N2/c17-10-6-8(11-1-3-13(18)22-15(11)20)5-9(7-10)12-2-4-14(19)23-16(12)21/h1-7H
InChIKeyDDVDUXVPLNVKNQ-UHFFFAOYSA-N
MW383.14 g/mol
LogP5.13
Rot. Bonds2

About 3-[3-bromo-5-(2,6-difluoro-3-pyridinyl)phenyl]-2,6-difluoropyridine

3-[3-bromo-5-(2,6-difluoro-3-pyridinyl)phenyl]-2,6-difluoropyridine (PubChem CID 70974130) has the molecular formula C16H7BrF4N2 and a molecular weight of 383.14 g/mol. Its IUPAC name is 3-[3-bromo-5-(2,6-difluoro-3-pyridinyl)phenyl]-2,6-difluoropyridine.

Molecular Properties

Compound Name3-[3-bromo-5-(2,6-difluoro-3-pyridinyl)phenyl]-2,6-difluoropyridine
PubChem CID70974130
Molecular FormulaC16H7BrF4N2
Molecular Weight383.14 g/mol
Exact Mass381.97
IUPAC Name3-[3-bromo-5-(2,6-difluoro-3-pyridinyl)phenyl]-2,6-difluoropyridine
SMILESFc1ccc(-c2cc(Br)cc(-c3ccc(F)nc3F)c2)c(F)n1
InChIInChI=1S/C16H7BrF4N2/c17-10-6-8(11-1-3-13(18)22-15(11)20)5-9(7-10)12-2-4-14(19)23-16(12)21/h1-7H
InChIKeyDDVDUXVPLNVKNQ-UHFFFAOYSA-N
XLogP5.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.14
LogP ≤ 55.13
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

3-(5-bromo-2-pyridinyl)-2,6-difluoropyridine
CID 139429765
2,6-difluoro-3-(2,3,4,5,6-pentafluorophenyl)pyridine
CID 118991508
2,6-difluoro-3-(4-nitrophenyl)pyridine
CID 101450711
2-(2,6-difluoro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine
CID 167227635
5-[3-(2,6-difluoro-3-pyridinyl)-5-(2-methylbutan-2-yl)phenyl]-2H-triazole-4-carbonitrile
CID 170147374
3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene
CID 19746447
2,6-difluoro-3-(4-propoxyphenyl)pyridine
CID 19765788
4-(2,6-difluoro-3-pyridinyl)-6-iodopyrimidine
CID 89459196
2-(3-bromo-5-fluorophenyl)-5-fluorophenol
CID 118325426
1-(3-bromo-5-pyren-1-ylphenyl)pyrene
CID 71424737
2,6-difluoro-3-(5-methyl-1H-imidazol-2-yl)pyridine
CID 157368022
3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-2,6-difluoropyridine;2,6-difluoro-3-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine
CID 67924052

Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-5-(2,6-difluoro-3-pyridinyl)phenyl]-2,6-difluoropyridine?
The IUPAC name of 3-[3-bromo-5-(2,6-difluoro-3-pyridinyl)phenyl]-2,6-difluoropyridine (CID 70974130) is 3-[3-bromo-5-(2,6-difluoro-3-pyridinyl)phenyl]-2,6-difluoropyridine.
What is the SMILES notation for 3-[3-bromo-5-(2,6-difluoro-3-pyridinyl)phenyl]-2,6-difluoropyridine?
The canonical SMILES for 3-[3-bromo-5-(2,6-difluoro-3-pyridinyl)phenyl]-2,6-difluoropyridine is Fc1ccc(-c2cc(Br)cc(-c3ccc(F)nc3F)c2)c(F)n1.
What is the InChIKey of 3-[3-bromo-5-(2,6-difluoro-3-pyridinyl)phenyl]-2,6-difluoropyridine?
The InChIKey is DDVDUXVPLNVKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7BrF4N2/c17-10-6-8(11-1-3-13(18)22-15(11)20)5-9(7-10)12-2-4-14(19)23-16(12)21/h1-7H.
What are the key properties of 3-[3-bromo-5-(2,6-difluoro-3-pyridinyl)phenyl]-2,6-difluoropyridine?
3-[3-bromo-5-(2,6-difluoro-3-pyridinyl)phenyl]-2,6-difluoropyridine has a molecular weight of 383.14 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-5-(2,6-difluoro-3-pyridinyl)phenyl]-2,6-difluoropyridine is sourced from PubChem (CID 70974130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).