3-(4-bromophenyl)-2-methoxypyridine

C12H10BrNO — CID 66862331

IUPAC3-(4-bromophenyl)-2-methoxypyridine
SMILESCOc1ncccc1-c1ccc(Br)cc1
InChIInChI=1S/C12H10BrNO/c1-15-12-11(3-2-8-14-12)9-4-6-10(13)7-5-9/h2-8H,1H3
InChIKeyNPQSPUVPVQACHM-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.52
Rot. Bonds2

About 3-(4-bromophenyl)-2-methoxypyridine

3-(4-bromophenyl)-2-methoxypyridine (PubChem CID 66862331) has the molecular formula C12H10BrNO and a molecular weight of 264.12 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-methoxypyridine.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-methoxypyridine
PubChem CID66862331
Molecular FormulaC12H10BrNO
Molecular Weight264.12 g/mol
Exact Mass262.99
IUPAC Name3-(4-bromophenyl)-2-methoxypyridine
SMILESCOc1ncccc1-c1ccc(Br)cc1
InChIInChI=1S/C12H10BrNO/c1-15-12-11(3-2-8-14-12)9-4-6-10(13)7-5-9/h2-8H,1H3
InChIKeyNPQSPUVPVQACHM-UHFFFAOYSA-N
XLogP3.52
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
3-(5-Methoxy-1H-inden-2-yl)pyridine
CID 6540048
4-(4-Methoxyphenyl)-2-methylpyridine
CID 23371780
2-(Benzyloxy)pyridine
CID 295859
5-Bromo-2-methoxypyridine
CID 2734895
6-Bromo-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 514898
2H-Pyrano(2,3-b)pyridine, 6-bromo-3,4-dihydro-2-(4-methylphenyl)-
CID 514899
4-(4-Butoxy-phenyl)-pyridine
CID 11322127
3-(4-Butoxy-phenyl)-pyridine
CID 11817019
2H-Pyrano(2,3-b)pyridine, 6-bromo-2-phenyl-
CID 514908
1-Methoxyisoquinoline
CID 141052
2-(4-Methoxyphenyl)pyridine
CID 220239

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-methoxypyridine?
The IUPAC name of 3-(4-bromophenyl)-2-methoxypyridine (CID 66862331) is 3-(4-bromophenyl)-2-methoxypyridine.
What is the SMILES notation for 3-(4-bromophenyl)-2-methoxypyridine?
The canonical SMILES for 3-(4-bromophenyl)-2-methoxypyridine is COc1ncccc1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-methoxypyridine?
The InChIKey is NPQSPUVPVQACHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO/c1-15-12-11(3-2-8-14-12)9-4-6-10(13)7-5-9/h2-8H,1H3.
What are the key properties of 3-(4-bromophenyl)-2-methoxypyridine?
3-(4-bromophenyl)-2-methoxypyridine has a molecular weight of 264.12 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-methoxypyridine is sourced from PubChem (CID 66862331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).