4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-2-fluorobenzonitrile

C12H6Cl2FN3O — CID 102761068

IUPAC4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-2-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2nc(N)c(Cl)cc2Cl)cc1F
InChIInChI=1S/C12H6Cl2FN3O/c13-8-4-9(14)12(18-11(8)17)19-7-2-1-6(5-16)10(15)3-7/h1-4H,(H2,17,18)
InChIKeyVAQHEQOFAVZISU-UHFFFAOYSA-N
MW298.10 g/mol
LogP3.77
Rot. Bonds2

About 4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-2-fluorobenzonitrile

4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-2-fluorobenzonitrile (PubChem CID 102761068) has the molecular formula C12H6Cl2FN3O and a molecular weight of 298.10 g/mol. Its IUPAC name is 4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-2-fluorobenzonitrile
PubChem CID102761068
Molecular FormulaC12H6Cl2FN3O
Molecular Weight298.10 g/mol
Exact Mass296.99
IUPAC Name4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-2-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2nc(N)c(Cl)cc2Cl)cc1F
InChIInChI=1S/C12H6Cl2FN3O/c13-8-4-9(14)12(18-11(8)17)19-7-2-1-6(5-16)10(15)3-7/h1-4H,(H2,17,18)
InChIKeyVAQHEQOFAVZISU-UHFFFAOYSA-N
XLogP3.77
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-amino-6-chloro-2-pyridinyl)oxy]-2-fluorobenzonitrile
CID 113317073
4-[5-chloro-2-(methylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80883706
4-(6-amino-5-bromopyrimidin-4-yl)oxy-2-fluorobenzonitrile
CID 114073522
4-[(5-amino-3-pyridinyl)oxy]-2-fluorobenzonitrile
CID 104536926
5-amino-2-(3-chloro-4-fluorophenoxy)pyridine-3-carbonitrile
CID 63878450
4-(6-chloro-2-ethylpyrimidin-4-yl)oxy-2-fluorobenzonitrile
CID 80944458
3-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carbonitrile
CID 107059136
3,5-dichloro-6-(2,5-difluorophenoxy)pyridin-2-amine
CID 102760964
4-(6-amino-2-tert-butylpyrimidin-4-yl)oxy-2-fluorobenzonitrile
CID 80962880
3-(4-cyano-3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 78952723
4-[2-chloro-4-(chloromethyl)phenoxy]-2-fluorobenzonitrile
CID 81152393
4-[5-bromo-2-(methylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80883103

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-2-fluorobenzonitrile?
The IUPAC name of 4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-2-fluorobenzonitrile (CID 102761068) is 4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-2-fluorobenzonitrile?
The canonical SMILES for 4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-2-fluorobenzonitrile is N#Cc1ccc(Oc2nc(N)c(Cl)cc2Cl)cc1F.
What is the InChIKey of 4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-2-fluorobenzonitrile?
The InChIKey is VAQHEQOFAVZISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FN3O/c13-8-4-9(14)12(18-11(8)17)19-7-2-1-6(5-16)10(15)3-7/h1-4H,(H2,17,18).
What are the key properties of 4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-2-fluorobenzonitrile?
4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-2-fluorobenzonitrile has a molecular weight of 298.10 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-2-fluorobenzonitrile is sourced from PubChem (CID 102761068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).