3-bromo-2-fluoro-6-(4-methoxyphenyl)pyridine

C12H9BrFNO — CID 172992709

IUPAC3-bromo-2-fluoro-6-(4-methoxyphenyl)pyridine
SMILESCOc1ccc(-c2ccc(Br)c(F)n2)cc1
InChIInChI=1S/C12H9BrFNO/c1-16-9-4-2-8(3-5-9)11-7-6-10(13)12(14)15-11/h2-7H,1H3
InChIKeyPGWGTIYDGQRDAV-UHFFFAOYSA-N
MW282.11 g/mol
LogP3.66
Rot. Bonds2

About 3-bromo-2-fluoro-6-(4-methoxyphenyl)pyridine

3-bromo-2-fluoro-6-(4-methoxyphenyl)pyridine (PubChem CID 172992709) has the molecular formula C12H9BrFNO and a molecular weight of 282.11 g/mol. Its IUPAC name is 3-bromo-2-fluoro-6-(4-methoxyphenyl)pyridine.

Molecular Properties

Compound Name3-bromo-2-fluoro-6-(4-methoxyphenyl)pyridine
PubChem CID172992709
Molecular FormulaC12H9BrFNO
Molecular Weight282.11 g/mol
Exact Mass280.99
IUPAC Name3-bromo-2-fluoro-6-(4-methoxyphenyl)pyridine
SMILESCOc1ccc(-c2ccc(Br)c(F)n2)cc1
InChIInChI=1S/C12H9BrFNO/c1-16-9-4-2-8(3-5-9)11-7-6-10(13)12(14)15-11/h2-7H,1H3
InChIKeyPGWGTIYDGQRDAV-UHFFFAOYSA-N
XLogP3.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 53.66
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-3-(4-methoxyphenyl)pyridazine
CID 117107154
2-fluoro-3-methoxy-6-(4-methylphenyl)pyridine
CID 144602971
4-bromo-1-(difluoromethyl)-5-(4-methoxyphenyl)pyrazole
CID 171075985
6-(4-methoxyphenyl)pyridin-3-ol
CID 53229210
7-(4-methoxyphenyl)pyrido[2,3-d]pyrimidine
CID 141003075
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole
CID 84711805
3-bromo-4-[3-bromo-5-(4-methoxyphenyl)-4-pyridinyl]-5-(4-methoxyphenyl)pyridine
CID 57342779
5-[4-(4-methoxyphenyl)phenyl]pyrazin-2-amine
CID 25140980
2-bromo-5-(4-methoxyphenyl)-1,3-oxazole
CID 117259601
2,3,4,5-tetrafluoro-6-(4-methoxyphenyl)pyridine
CID 102219519
2-fluoro-5-(4-methoxyphenyl)pyridine
CID 26985626

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-6-(4-methoxyphenyl)pyridine?
The IUPAC name of 3-bromo-2-fluoro-6-(4-methoxyphenyl)pyridine (CID 172992709) is 3-bromo-2-fluoro-6-(4-methoxyphenyl)pyridine.
What is the SMILES notation for 3-bromo-2-fluoro-6-(4-methoxyphenyl)pyridine?
The canonical SMILES for 3-bromo-2-fluoro-6-(4-methoxyphenyl)pyridine is COc1ccc(-c2ccc(Br)c(F)n2)cc1.
What is the InChIKey of 3-bromo-2-fluoro-6-(4-methoxyphenyl)pyridine?
The InChIKey is PGWGTIYDGQRDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO/c1-16-9-4-2-8(3-5-9)11-7-6-10(13)12(14)15-11/h2-7H,1H3.
What are the key properties of 3-bromo-2-fluoro-6-(4-methoxyphenyl)pyridine?
3-bromo-2-fluoro-6-(4-methoxyphenyl)pyridine has a molecular weight of 282.11 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-6-(4-methoxyphenyl)pyridine is sourced from PubChem (CID 172992709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).