2-[(6-chloro-3-pyridinyl)oxy]-6-fluorobenzonitrile

C12H6ClFN2O — CID 133384052

IUPAC2-[(6-chloro-3-pyridinyl)oxy]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Oc1ccc(Cl)nc1
InChIInChI=1S/C12H6ClFN2O/c13-12-5-4-8(7-16-12)17-11-3-1-2-10(14)9(11)6-15/h1-5,7H
InChIKeySRWMVQFXIQXMFH-UHFFFAOYSA-N
MW248.64 g/mol
LogP3.54
Rot. Bonds2

About 2-[(6-chloro-3-pyridinyl)oxy]-6-fluorobenzonitrile

2-[(6-chloro-3-pyridinyl)oxy]-6-fluorobenzonitrile (PubChem CID 133384052) has the molecular formula C12H6ClFN2O and a molecular weight of 248.64 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)oxy]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)oxy]-6-fluorobenzonitrile
PubChem CID133384052
Molecular FormulaC12H6ClFN2O
Molecular Weight248.64 g/mol
Exact Mass248.02
IUPAC Name2-[(6-chloro-3-pyridinyl)oxy]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Oc1ccc(Cl)nc1
InChIInChI=1S/C12H6ClFN2O/c13-12-5-4-8(7-16-12)17-11-3-1-2-10(14)9(11)6-15/h1-5,7H
InChIKeySRWMVQFXIQXMFH-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

Computed Properties (RDKit)

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

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Related Compounds

5-(2-cyano-3-fluorophenoxy)pyridine-2-carboxylic acid
CID 104638416
2-[(5-chloro-2-pyridinyl)oxy]-6-fluorobenzonitrile
CID 66234121
2-(3-chlorophenoxy)-6-fluorobenzonitrile
CID 24777412
2-(4-aminophenoxy)-6-fluorobenzonitrile
CID 43609010
2-(4-bromophenoxy)-6-fluorobenzonitrile
CID 9029439
2-fluoro-6-(4-propan-2-ylphenoxy)benzonitrile
CID 79513583
2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile
CID 78952780
2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile
CID 154966368
2-(4-ethylphenoxy)-6-fluorobenzonitrile
CID 52855348
2-(5-bromopyrimidin-2-yl)oxy-6-fluorobenzonitrile
CID 63867087
2-[(4-chloro-1,3-thiazol-2-yl)oxy]-6-fluorobenzonitrile
CID 83153340
2-fluoro-6-quinolin-7-yloxybenzonitrile
CID 107313648

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)oxy]-6-fluorobenzonitrile?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)oxy]-6-fluorobenzonitrile (CID 133384052) is 2-[(6-chloro-3-pyridinyl)oxy]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)oxy]-6-fluorobenzonitrile?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)oxy]-6-fluorobenzonitrile is N#Cc1c(F)cccc1Oc1ccc(Cl)nc1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)oxy]-6-fluorobenzonitrile?
The InChIKey is SRWMVQFXIQXMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClFN2O/c13-12-5-4-8(7-16-12)17-11-3-1-2-10(14)9(11)6-15/h1-5,7H.
What are the key properties of 2-[(6-chloro-3-pyridinyl)oxy]-6-fluorobenzonitrile?
2-[(6-chloro-3-pyridinyl)oxy]-6-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-[(6-chloro-3-pyridinyl)oxy]-6-fluorobenzonitrile is sourced from PubChem (CID 133384052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).