2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzonitrile

C12H6ClFN2O — CID 64602529

IUPAC2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C12H6ClFN2O/c13-9-4-11(7-16-6-9)17-12-2-1-10(14)3-8(12)5-15/h1-4,6-7H
InChIKeyQLSFWTISTJKHSK-UHFFFAOYSA-N
MW248.64 g/mol
LogP3.54
Rot. Bonds2

About 2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzonitrile

2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzonitrile (PubChem CID 64602529) has the molecular formula C12H6ClFN2O and a molecular weight of 248.64 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzonitrile
PubChem CID64602529
Molecular FormulaC12H6ClFN2O
Molecular Weight248.64 g/mol
Exact Mass248.02
IUPAC Name2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C12H6ClFN2O/c13-9-4-11(7-16-6-9)17-12-2-1-10(14)3-8(12)5-15/h1-4,6-7H
InChIKeyQLSFWTISTJKHSK-UHFFFAOYSA-N
XLogP3.54
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.64
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile
CID 64602337
2-[(5-chloro-3-pyridinyl)oxy]-5-nitrobenzonitrile
CID 22148825
4-bromo-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile
CID 114902499
(1S)-1-[2-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]ethanol
CID 78996799
2-(2-chloro-4-methylphenoxy)-5-fluorobenzonitrile
CID 55232518
5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile
CID 55256693
5-fluoro-2-(6-hydroxynaphthalen-2-yl)oxybenzonitrile
CID 152563085
2-[3-[(5-chloro-3-pyridinyl)oxy]propoxy]benzonitrile
CID 64602339
5-chloro-2-(3-chlorophenoxy)benzonitrile
CID 63512022
5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzonitrile
CID 116801252
5-fluoro-2-(2-fluoro-5-methylphenoxy)benzonitrile
CID 64855784
2-[(5-chloro-3-pyridinyl)oxy]quinoline-3-carbonitrile
CID 64602527

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzonitrile?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzonitrile (CID 64602529) is 2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzonitrile?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzonitrile is N#Cc1cc(F)ccc1Oc1cncc(Cl)c1.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzonitrile?
The InChIKey is QLSFWTISTJKHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClFN2O/c13-9-4-11(7-16-6-9)17-12-2-1-10(14)3-8(12)5-15/h1-4,6-7H.
What are the key properties of 2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzonitrile?
2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzonitrile has a molecular weight of 248.64 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzonitrile is sourced from PubChem (CID 64602529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).