3-chloro-5-[(2,6-difluoro-4-pyridinyl)oxy]benzonitrile

C12H5ClF2N2O — CID 68513130

IUPAC3-chloro-5-[(2,6-difluoro-4-pyridinyl)oxy]benzonitrile
SMILESN#Cc1cc(Cl)cc(Oc2cc(F)nc(F)c2)c1
InChIInChI=1S/C12H5ClF2N2O/c13-8-1-7(6-16)2-9(3-8)18-10-4-11(14)17-12(15)5-10/h1-5H
InChIKeyBMOROOLTJHBYMN-UHFFFAOYSA-N
MW266.63 g/mol
LogP3.68
Rot. Bonds2

About 3-chloro-5-[(2,6-difluoro-4-pyridinyl)oxy]benzonitrile

3-chloro-5-[(2,6-difluoro-4-pyridinyl)oxy]benzonitrile (PubChem CID 68513130) has the molecular formula C12H5ClF2N2O and a molecular weight of 266.63 g/mol. Its IUPAC name is 3-chloro-5-[(2,6-difluoro-4-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name3-chloro-5-[(2,6-difluoro-4-pyridinyl)oxy]benzonitrile
PubChem CID68513130
Molecular FormulaC12H5ClF2N2O
Molecular Weight266.63 g/mol
Exact Mass266.01
IUPAC Name3-chloro-5-[(2,6-difluoro-4-pyridinyl)oxy]benzonitrile
SMILESN#Cc1cc(Cl)cc(Oc2cc(F)nc(F)c2)c1
InChIInChI=1S/C12H5ClF2N2O/c13-8-1-7(6-16)2-9(3-8)18-10-4-11(14)17-12(15)5-10/h1-5H
InChIKeyBMOROOLTJHBYMN-UHFFFAOYSA-N
XLogP3.68
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.63
LogP ≤ 53.68
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

3-chloro-5-[(2,3,6-trifluoro-4-pyridinyl)oxy]benzonitrile
CID 59225817
3-chloro-5-(6-chloro-2-fluoro-3-methylphenoxy)benzonitrile
CID 59451640
3-chloro-5-propan-2-yloxybenzonitrile
CID 58503685
3-(3-chloro-4-fluorophenoxy)-5-fluorobenzonitrile
CID 102818128
3-[3-bromo-6-(bromomethyl)-2-fluorophenoxy]-5-chlorobenzonitrile
CID 69045756
3-(2-amino-3-bromo-6-fluoro-5-methylphenoxy)-5-chlorobenzonitrile
CID 86644944
3-(4-chloro-3,5-dimethylphenoxy)-5-fluorobenzonitrile
CID 102817962
3-(3-bromo-2-fluoro-6-formylphenoxy)-5-chlorobenzonitrile
CID 86078195
3-[[2-(bromomethyl)-5-chloro-4-pyridinyl]oxy]-5-chlorobenzonitrile
CID 59529751
3-chloro-5-[(5-chloro-2H-benzotriazol-4-yl)oxy]benzonitrile
CID 56833747
3-chloro-5-[3-chloro-5-[[3-methyl-4-(trifluoromethoxy)-2-pyridinyl]methoxy]phenoxy]benzonitrile
CID 71214549
3-chloro-5-[[4-(difluoromethyl)-1,1,2,2-tetrafluoro-3-hydroxy-3H-inden-5-yl]oxy]benzonitrile
CID 146523979

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(2,6-difluoro-4-pyridinyl)oxy]benzonitrile?
The IUPAC name of 3-chloro-5-[(2,6-difluoro-4-pyridinyl)oxy]benzonitrile (CID 68513130) is 3-chloro-5-[(2,6-difluoro-4-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 3-chloro-5-[(2,6-difluoro-4-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 3-chloro-5-[(2,6-difluoro-4-pyridinyl)oxy]benzonitrile is N#Cc1cc(Cl)cc(Oc2cc(F)nc(F)c2)c1.
What is the InChIKey of 3-chloro-5-[(2,6-difluoro-4-pyridinyl)oxy]benzonitrile?
The InChIKey is BMOROOLTJHBYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClF2N2O/c13-8-1-7(6-16)2-9(3-8)18-10-4-11(14)17-12(15)5-10/h1-5H.
What are the key properties of 3-chloro-5-[(2,6-difluoro-4-pyridinyl)oxy]benzonitrile?
3-chloro-5-[(2,6-difluoro-4-pyridinyl)oxy]benzonitrile has a molecular weight of 266.63 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(2,6-difluoro-4-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 68513130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).