2-[6-bromo-2-fluoro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]acetonitrile

C14H10BrFN2O — CID 175601679

IUPAC2-[6-bromo-2-fluoro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]acetonitrile
SMILESCc1cccc(Oc2ccc(Br)c(CC#N)c2F)n1
InChIInChI=1S/C14H10BrFN2O/c1-9-3-2-4-13(18-9)19-12-6-5-11(15)10(7-8-17)14(12)16/h2-6H,7H2,1H3
InChIKeySZAFRBLDUOLSQK-UHFFFAOYSA-N
MW321.15 g/mol
LogP4.15
Rot. Bonds3

About 2-[6-bromo-2-fluoro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]acetonitrile

2-[6-bromo-2-fluoro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]acetonitrile (PubChem CID 175601679) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is 2-[6-bromo-2-fluoro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[6-bromo-2-fluoro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]acetonitrile
PubChem CID175601679
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name2-[6-bromo-2-fluoro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]acetonitrile
SMILESCc1cccc(Oc2ccc(Br)c(CC#N)c2F)n1
InChIInChI=1S/C14H10BrFN2O/c1-9-3-2-4-13(18-9)19-12-6-5-11(15)10(7-8-17)14(12)16/h2-6H,7H2,1H3
InChIKeySZAFRBLDUOLSQK-UHFFFAOYSA-N
XLogP4.15
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

sodium;2-(6-bromo-2-fluoro-3-methoxyphenyl)acetonitrile;cyanide
CID 175978714
2-(3-bromo-6-methoxy-2-methylphenyl)acetonitrile
CID 84800303
2-[3,6-dibromo-2-(cyanomethyl)phenyl]acetonitrile
CID 153406802
2-(3-bromo-6-methyl-2-pyridinyl)acetonitrile
CID 119085762
2-(3-chloro-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile
CID 114766993
2-(3-bromo-2-fluoro-6-iodophenyl)acetonitrile
CID 131100566
2-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]acetonitrile
CID 61229739
2-amino-3-[(6-methyl-2-pyridinyl)oxy]phenol
CID 114764591
3-bromo-2-[(6-methyl-2-pyridinyl)oxymethyl]benzoic acid
CID 144783930
3-(6-methyl-2-pyridinyl)propanenitrile
CID 14687222
3-[(6-chloro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine
CID 103174660
2-(2-bromophenoxy)-6-methoxypyridine
CID 63589312

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-2-fluoro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]acetonitrile?
The IUPAC name of 2-[6-bromo-2-fluoro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]acetonitrile (CID 175601679) is 2-[6-bromo-2-fluoro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[6-bromo-2-fluoro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]acetonitrile?
The canonical SMILES for 2-[6-bromo-2-fluoro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]acetonitrile is Cc1cccc(Oc2ccc(Br)c(CC#N)c2F)n1.
What is the InChIKey of 2-[6-bromo-2-fluoro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]acetonitrile?
The InChIKey is SZAFRBLDUOLSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c1-9-3-2-4-13(18-9)19-12-6-5-11(15)10(7-8-17)14(12)16/h2-6H,7H2,1H3.
What are the key properties of 2-[6-bromo-2-fluoro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]acetonitrile?
2-[6-bromo-2-fluoro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]acetonitrile has a molecular weight of 321.15 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-2-fluoro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]acetonitrile is sourced from PubChem (CID 175601679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).