2-[(5-bromo-3-pyridinyl)methoxy]-6-fluorobenzonitrile

C13H8BrFN2O — CID 115766284

IUPAC2-[(5-bromo-3-pyridinyl)methoxy]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1OCc1cncc(Br)c1
InChIInChI=1S/C13H8BrFN2O/c14-10-4-9(6-17-7-10)8-18-13-3-1-2-12(15)11(13)5-16/h1-4,6-7H,8H2
InChIKeyYNQIFTQCJAWFRQ-UHFFFAOYSA-N
MW307.12 g/mol
LogP3.43
Rot. Bonds3

About 2-[(5-bromo-3-pyridinyl)methoxy]-6-fluorobenzonitrile

2-[(5-bromo-3-pyridinyl)methoxy]-6-fluorobenzonitrile (PubChem CID 115766284) has the molecular formula C13H8BrFN2O and a molecular weight of 307.12 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)methoxy]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)methoxy]-6-fluorobenzonitrile
PubChem CID115766284
Molecular FormulaC13H8BrFN2O
Molecular Weight307.12 g/mol
Exact Mass305.98
IUPAC Name2-[(5-bromo-3-pyridinyl)methoxy]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1OCc1cncc(Br)c1
InChIInChI=1S/C13H8BrFN2O/c14-10-4-9(6-17-7-10)8-18-13-3-1-2-12(15)11(13)5-16/h1-4,6-7H,8H2
InChIKeyYNQIFTQCJAWFRQ-UHFFFAOYSA-N
XLogP3.43
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.12
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile
CID 24777146
2-[(5-bromo-3-pyridinyl)methoxy]-3-fluoroaniline
CID 113458205
3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
CID 115580496
2-fluoro-6-[[4-(trifluoromethyl)phenyl]methoxy]benzonitrile
CID 18525684
2-(5-bromopyrimidin-2-yl)oxy-6-fluorobenzonitrile
CID 63867087
[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methanol
CID 107690477
2-[(4-cyano-3-methoxyphenyl)methoxy]-6-fluorobenzonitrile
CID 106788587
3-bromo-5-[[2-(chloromethyl)phenoxy]methyl]pyridine
CID 104798982
2-[(2-chloro-1,3-thiazol-5-yl)methoxy]-6-fluorobenzonitrile
CID 79764862
2-fluoro-6-[(4-nitrophenyl)methoxy]benzonitrile
CID 79015665
3-bromo-5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 104799200
3-[(5-bromo-3-pyridinyl)methoxy]-1-benzofuran-2-carbonitrile
CID 104797275

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)methoxy]-6-fluorobenzonitrile?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)methoxy]-6-fluorobenzonitrile (CID 115766284) is 2-[(5-bromo-3-pyridinyl)methoxy]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)methoxy]-6-fluorobenzonitrile?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)methoxy]-6-fluorobenzonitrile is N#Cc1c(F)cccc1OCc1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)methoxy]-6-fluorobenzonitrile?
The InChIKey is YNQIFTQCJAWFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2O/c14-10-4-9(6-17-7-10)8-18-13-3-1-2-12(15)11(13)5-16/h1-4,6-7H,8H2.
What are the key properties of 2-[(5-bromo-3-pyridinyl)methoxy]-6-fluorobenzonitrile?
2-[(5-bromo-3-pyridinyl)methoxy]-6-fluorobenzonitrile has a molecular weight of 307.12 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)methoxy]-6-fluorobenzonitrile is sourced from PubChem (CID 115766284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).