2,3,5,6-tetrafluoro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-4-amine

C12H9F4N3S — CID 9151115

IUPAC2,3,5,6-tetrafluoro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-4-amine
SMILESC/C(=N/Nc1c(F)c(F)nc(F)c1F)c1ccc(C)s1
InChIInChI=1S/C12H9F4N3S/c1-5-3-4-7(20-5)6(2)18-19-10-8(13)11(15)17-12(16)9(10)14/h3-4H,1-2H3,(H,17,19)/b18-6-
InChIKeyKFBYADJRDPJIPJ-FXBPXSCXSA-N
MW303.28 g/mol
LogP3.84
Rot. Bonds3

About 2,3,5,6-tetrafluoro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-4-amine

2,3,5,6-tetrafluoro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-4-amine (PubChem CID 9151115) has the molecular formula C12H9F4N3S and a molecular weight of 303.28 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-4-amine
PubChem CID9151115
Molecular FormulaC12H9F4N3S
Molecular Weight303.28 g/mol
Exact Mass303.05
IUPAC Name2,3,5,6-tetrafluoro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-4-amine
SMILESC/C(=N/Nc1c(F)c(F)nc(F)c1F)c1ccc(C)s1
InChIInChI=1S/C12H9F4N3S/c1-5-3-4-7(20-5)6(2)18-19-10-8(13)11(15)17-12(16)9(10)14/h3-4H,1-2H3,(H,17,19)/b18-6-
InChIKeyKFBYADJRDPJIPJ-FXBPXSCXSA-N
XLogP3.84
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-4-amine (CID 9151115) is 2,3,5,6-tetrafluoro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-4-amine is C/C(=N/Nc1c(F)c(F)nc(F)c1F)c1ccc(C)s1.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-4-amine?
The InChIKey is KFBYADJRDPJIPJ-FXBPXSCXSA-N. The full InChI is InChI=1S/C12H9F4N3S/c1-5-3-4-7(20-5)6(2)18-19-10-8(13)11(15)17-12(16)9(10)14/h3-4H,1-2H3,(H,17,19)/b18-6-.
What are the key properties of 2,3,5,6-tetrafluoro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-4-amine?
2,3,5,6-tetrafluoro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-4-amine has a molecular weight of 303.28 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]pyridin-4-amine is sourced from PubChem (CID 9151115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).