2-bromo-6-[[2-fluoro-4-(4-methyltriazol-1-yl)phenyl]methoxy]pyridine

C15H12BrFN4O — CID 166089592

IUPAC2-bromo-6-[[2-fluoro-4-(4-methyltriazol-1-yl)phenyl]methoxy]pyridine
SMILESCc1cn(-c2ccc(COc3cccc(Br)n3)c(F)c2)nn1
InChIInChI=1S/C15H12BrFN4O/c1-10-8-21(20-19-10)12-6-5-11(13(17)7-12)9-22-15-4-2-3-14(16)18-15/h2-8H,9H2,1H3
InChIKeyHDHJLTMGUOFBCH-UHFFFAOYSA-N
MW363.19 g/mol
LogP3.45
Rot. Bonds4

About 2-bromo-6-[[2-fluoro-4-(4-methyltriazol-1-yl)phenyl]methoxy]pyridine

2-bromo-6-[[2-fluoro-4-(4-methyltriazol-1-yl)phenyl]methoxy]pyridine (PubChem CID 166089592) has the molecular formula C15H12BrFN4O and a molecular weight of 363.19 g/mol. Its IUPAC name is 2-bromo-6-[[2-fluoro-4-(4-methyltriazol-1-yl)phenyl]methoxy]pyridine.

Molecular Properties

Compound Name2-bromo-6-[[2-fluoro-4-(4-methyltriazol-1-yl)phenyl]methoxy]pyridine
PubChem CID166089592
Molecular FormulaC15H12BrFN4O
Molecular Weight363.19 g/mol
Exact Mass362.02
IUPAC Name2-bromo-6-[[2-fluoro-4-(4-methyltriazol-1-yl)phenyl]methoxy]pyridine
SMILESCc1cn(-c2ccc(COc3cccc(Br)n3)c(F)c2)nn1
InChIInChI=1S/C15H12BrFN4O/c1-10-8-21(20-19-10)12-6-5-11(13(17)7-12)9-22-15-4-2-3-14(16)18-15/h2-8H,9H2,1H3
InChIKeyHDHJLTMGUOFBCH-UHFFFAOYSA-N
XLogP3.45
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.19
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine
CID 155612962
N-[[4-[(6-bromo-2-pyridinyl)oxymethyl]-3-fluorophenyl]methyl]acetamide
CID 166089636
3-fluoro-4-[(6-methyl-2-pyridinyl)oxymethyl]benzonitrile
CID 156731509
1-[3-fluoro-4-(furan-2-yl)phenyl]-4-methyltriazole
CID 168526998
N-[[5-[(6-bromo-2-pyridinyl)oxymethyl]-4-fluoro-2-pyridinyl]methyl]acetamide
CID 166089312
sodium;2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;(4-chloro-2-fluorophenyl)methanol;2,6-dibromopyridine;hydride;oxolane
CID 159930111
2-chloro-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine
CID 155612920
ethane;1-(4-methoxyphenyl)-4-methyltriazole
CID 143999618
2-[2-fluoro-4-(4-methyltriazol-1-yl)phenyl]isoindole-1,3-dione
CID 168518299
2-chloro-N'-[2-fluoro-4-(4-methyltriazol-1-yl)phenyl]ethanimidamide
CID 169367840
ethane;2-methyl-5-(4-methyltriazol-1-yl)pyridine
CID 157044082
1-[4-[(2,5-difluoro-4-methylphenyl)methylsulfonyl]phenyl]-4-methyltriazole
CID 158267113

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[2-fluoro-4-(4-methyltriazol-1-yl)phenyl]methoxy]pyridine?
The IUPAC name of 2-bromo-6-[[2-fluoro-4-(4-methyltriazol-1-yl)phenyl]methoxy]pyridine (CID 166089592) is 2-bromo-6-[[2-fluoro-4-(4-methyltriazol-1-yl)phenyl]methoxy]pyridine.
What is the SMILES notation for 2-bromo-6-[[2-fluoro-4-(4-methyltriazol-1-yl)phenyl]methoxy]pyridine?
The canonical SMILES for 2-bromo-6-[[2-fluoro-4-(4-methyltriazol-1-yl)phenyl]methoxy]pyridine is Cc1cn(-c2ccc(COc3cccc(Br)n3)c(F)c2)nn1.
What is the InChIKey of 2-bromo-6-[[2-fluoro-4-(4-methyltriazol-1-yl)phenyl]methoxy]pyridine?
The InChIKey is HDHJLTMGUOFBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN4O/c1-10-8-21(20-19-10)12-6-5-11(13(17)7-12)9-22-15-4-2-3-14(16)18-15/h2-8H,9H2,1H3.
What are the key properties of 2-bromo-6-[[2-fluoro-4-(4-methyltriazol-1-yl)phenyl]methoxy]pyridine?
2-bromo-6-[[2-fluoro-4-(4-methyltriazol-1-yl)phenyl]methoxy]pyridine has a molecular weight of 363.19 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[[2-fluoro-4-(4-methyltriazol-1-yl)phenyl]methoxy]pyridine is sourced from PubChem (CID 166089592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).