6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyridine-2,4-diamine

C13H9F4N3O — CID 172914408

IUPAC6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyridine-2,4-diamine
SMILESC=Cc1c(F)c(F)c(Oc2cc(N)cc(N)n2)c(F)c1F
InChIInChI=1S/C13H9F4N3O/c1-2-6-9(14)11(16)13(12(17)10(6)15)21-8-4-5(18)3-7(19)20-8/h2-4H,1H2,(H4,18,19,20)
InChIKeyTZQFIQAXMJQXIS-UHFFFAOYSA-N
MW299.23 g/mol
LogP3.24
Rot. Bonds3

About 6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyridine-2,4-diamine

6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyridine-2,4-diamine (PubChem CID 172914408) has the molecular formula C13H9F4N3O and a molecular weight of 299.23 g/mol. Its IUPAC name is 6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyridine-2,4-diamine.

Molecular Properties

Compound Name6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyridine-2,4-diamine
PubChem CID172914408
Molecular FormulaC13H9F4N3O
Molecular Weight299.23 g/mol
Exact Mass299.07
IUPAC Name6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyridine-2,4-diamine
SMILESC=Cc1c(F)c(F)c(Oc2cc(N)cc(N)n2)c(F)c1F
InChIInChI=1S/C13H9F4N3O/c1-2-6-9(14)11(16)13(12(17)10(6)15)21-8-4-5(18)3-7(19)20-8/h2-4H,1H2,(H4,18,19,20)
InChIKeyTZQFIQAXMJQXIS-UHFFFAOYSA-N
XLogP3.24
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-[[3-Fluoro-6-(4-methylphenoxy)-2-pyridyl]amino]benzonitrile
CID 75203979
4-(4-Ethylphenoxy)-6-methylpyrimidin-2-amine
CID 830665
4-N-(3-ethyl-4-methylphenyl)-6-(4-fluorophenoxy)pyrimidine-2,4-diamine
CID 9949731
6-Phenoxypyridin-2-amine
CID 18771605
2-Amino-6-benzyloxypyridine
CID 49875319
6-(2,3,5,6-Tetrafluoro-4-vinylphenoxy) pyrimidin-2,4-diamine
CID 172914409
6-(4-Fluorophenoxy)-2-pyridinylamine
CID 1042720
4-Phenoxypyridine-2,6-diamine
CID 349576
Agn-PC-0nhor0
CID 12069799
4-[[4-Amino-6-(2,4,6-trifluorophenoxy)pyrimidin-2-yl]amino]benzonitrile
CID 146000562
2,4-diamino-7-fluoro-5H-chromeno[2,3-b]pyridine-3-carbonitrile
CID 10355033
6-[2,3-Difluoro-4-(trifluoromethyl)phenoxy]-3-nitropyridin-2-amine
CID 17803165

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyridine-2,4-diamine?
The IUPAC name of 6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyridine-2,4-diamine (CID 172914408) is 6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyridine-2,4-diamine.
What is the SMILES notation for 6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyridine-2,4-diamine?
The canonical SMILES for 6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyridine-2,4-diamine is C=Cc1c(F)c(F)c(Oc2cc(N)cc(N)n2)c(F)c1F.
What is the InChIKey of 6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyridine-2,4-diamine?
The InChIKey is TZQFIQAXMJQXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4N3O/c1-2-6-9(14)11(16)13(12(17)10(6)15)21-8-4-5(18)3-7(19)20-8/h2-4H,1H2,(H4,18,19,20).
What are the key properties of 6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyridine-2,4-diamine?
6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyridine-2,4-diamine has a molecular weight of 299.23 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyridine-2,4-diamine is sourced from PubChem (CID 172914408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).