4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-3-fluorobenzonitrile

C11H7ClFN5O — CID 107669785

IUPAC4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-3-fluorobenzonitrile
SMILESCNc1nc(Cl)nc(Oc2ccc(C#N)cc2F)n1
InChIInChI=1S/C11H7ClFN5O/c1-15-10-16-9(12)17-11(18-10)19-8-3-2-6(5-14)4-7(8)13/h2-4H,1H3,(H,15,16,17,18)
InChIKeyJXGDOVBKRAJDEJ-UHFFFAOYSA-N
MW279.66 g/mol
LogP2.37
Rot. Bonds3

About 4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-3-fluorobenzonitrile

4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-3-fluorobenzonitrile (PubChem CID 107669785) has the molecular formula C11H7ClFN5O and a molecular weight of 279.66 g/mol. Its IUPAC name is 4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-3-fluorobenzonitrile
PubChem CID107669785
Molecular FormulaC11H7ClFN5O
Molecular Weight279.66 g/mol
Exact Mass279.03
IUPAC Name4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-3-fluorobenzonitrile
SMILESCNc1nc(Cl)nc(Oc2ccc(C#N)cc2F)n1
InChIInChI=1S/C11H7ClFN5O/c1-15-10-16-9(12)17-11(18-10)19-8-3-2-6(5-14)4-7(8)13/h2-4H,1H3,(H,15,16,17,18)
InChIKeyJXGDOVBKRAJDEJ-UHFFFAOYSA-N
XLogP2.37
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.66
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-(4-chloro-2-methylphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80869238
4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile
CID 107664801
4-chloro-6-(4-chloro-2-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80860682
4-(3,4-dichlorophenoxy)-3-fluorobenzonitrile
CID 54897766
4-chloro-N-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869398
4-chloro-6-(3-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80870186
3-fluoro-4-[[5-(methylamino)-3-pyridinyl]oxy]benzonitrile
CID 107669732
3-fluoro-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 107669781
4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile
CID 54880085
4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile
CID 114046415
4-(6-chloro-2-ethylpyrimidin-4-yl)oxy-3-fluorobenzonitrile
CID 107664678
4-chloro-6-(2-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80863834

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-3-fluorobenzonitrile?
The IUPAC name of 4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-3-fluorobenzonitrile (CID 107669785) is 4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-3-fluorobenzonitrile?
The canonical SMILES for 4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-3-fluorobenzonitrile is CNc1nc(Cl)nc(Oc2ccc(C#N)cc2F)n1.
What is the InChIKey of 4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-3-fluorobenzonitrile?
The InChIKey is JXGDOVBKRAJDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN5O/c1-15-10-16-9(12)17-11(18-10)19-8-3-2-6(5-14)4-7(8)13/h2-4H,1H3,(H,15,16,17,18).
What are the key properties of 4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-3-fluorobenzonitrile?
4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-3-fluorobenzonitrile has a molecular weight of 279.66 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-3-fluorobenzonitrile is sourced from PubChem (CID 107669785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).