5-bromo-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methoxypyridine

C14H13BrFNO2 — CID 150756751

IUPAC5-bromo-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methoxypyridine
SMILESCOc1cccc(Cc2cc(Br)cnc2OC)c1F
InChIInChI=1S/C14H13BrFNO2/c1-18-12-5-3-4-9(13(12)16)6-10-7-11(15)8-17-14(10)19-2/h3-5,7-8H,6H2,1-2H3
InChIKeyJWZVBQCPUHCWSI-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.59
Rot. Bonds4

About 5-bromo-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methoxypyridine

5-bromo-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methoxypyridine (PubChem CID 150756751) has the molecular formula C14H13BrFNO2 and a molecular weight of 326.17 g/mol. Its IUPAC name is 5-bromo-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methoxypyridine.

Molecular Properties

Compound Name5-bromo-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methoxypyridine
PubChem CID150756751
Molecular FormulaC14H13BrFNO2
Molecular Weight326.17 g/mol
Exact Mass325.01
IUPAC Name5-bromo-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methoxypyridine
SMILESCOc1cccc(Cc2cc(Br)cnc2OC)c1F
InChIInChI=1S/C14H13BrFNO2/c1-18-12-5-3-4-9(13(12)16)6-10-7-11(15)8-17-14(10)19-2/h3-5,7-8H,6H2,1-2H3
InChIKeyJWZVBQCPUHCWSI-UHFFFAOYSA-N
XLogP3.59
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 62292466
5-bromo-3-chloro-2-(3-chloro-2-fluorophenoxy)pyridine
CID 103583765
1-(5-bromo-2-pyridinyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 104794282
3-[(2,5-difluorophenyl)methyl]-2-methoxypyridine
CID 168947989
2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 104794308
5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106781161
5-bromo-2-methoxy-3-phenoxypyridine
CID 165374137
[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]-3-methylphenyl]methanamine
CID 104791340
1-(4-bromo-3,5-dimethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 114330177
[5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine
CID 62298344
1-bromo-5-[[2-fluoro-3-(iodomethyl)phenyl]methyl]-2,4-dimethoxybenzene
CID 118518081
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methoxypyridine?
The IUPAC name of 5-bromo-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methoxypyridine (CID 150756751) is 5-bromo-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methoxypyridine.
What is the SMILES notation for 5-bromo-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methoxypyridine?
The canonical SMILES for 5-bromo-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methoxypyridine is COc1cccc(Cc2cc(Br)cnc2OC)c1F.
What is the InChIKey of 5-bromo-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methoxypyridine?
The InChIKey is JWZVBQCPUHCWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2/c1-18-12-5-3-4-9(13(12)16)6-10-7-11(15)8-17-14(10)19-2/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 5-bromo-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methoxypyridine?
5-bromo-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methoxypyridine has a molecular weight of 326.17 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methoxypyridine is sourced from PubChem (CID 150756751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).