3-amino-2-(5-fluoro-2-methylanilino)pyridine-4-carbonitrile

C13H11FN4 — CID 82816959

IUPAC3-amino-2-(5-fluoro-2-methylanilino)pyridine-4-carbonitrile
SMILESCc1ccc(F)cc1Nc1nccc(C#N)c1N
InChIInChI=1S/C13H11FN4/c1-8-2-3-10(14)6-11(8)18-13-12(16)9(7-15)4-5-17-13/h2-6H,16H2,1H3,(H,17,18)
InChIKeyUEMLVZOBYUAZPU-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.73
Rot. Bonds2

About 3-amino-2-(5-fluoro-2-methylanilino)pyridine-4-carbonitrile

3-amino-2-(5-fluoro-2-methylanilino)pyridine-4-carbonitrile (PubChem CID 82816959) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 3-amino-2-(5-fluoro-2-methylanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(5-fluoro-2-methylanilino)pyridine-4-carbonitrile
PubChem CID82816959
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name3-amino-2-(5-fluoro-2-methylanilino)pyridine-4-carbonitrile
SMILESCc1ccc(F)cc1Nc1nccc(C#N)c1N
InChIInChI=1S/C13H11FN4/c1-8-2-3-10(14)6-11(8)18-13-12(16)9(7-15)4-5-17-13/h2-6H,16H2,1H3,(H,17,18)
InChIKeyUEMLVZOBYUAZPU-UHFFFAOYSA-N
XLogP2.73
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-fluoro-2-methylanilino)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(5-fluoro-2-methylanilino)pyridine-4-carbonitrile (CID 82816959) is 3-amino-2-(5-fluoro-2-methylanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(5-fluoro-2-methylanilino)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(5-fluoro-2-methylanilino)pyridine-4-carbonitrile is Cc1ccc(F)cc1Nc1nccc(C#N)c1N.
What is the InChIKey of 3-amino-2-(5-fluoro-2-methylanilino)pyridine-4-carbonitrile?
The InChIKey is UEMLVZOBYUAZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c1-8-2-3-10(14)6-11(8)18-13-12(16)9(7-15)4-5-17-13/h2-6H,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-2-(5-fluoro-2-methylanilino)pyridine-4-carbonitrile?
3-amino-2-(5-fluoro-2-methylanilino)pyridine-4-carbonitrile has a molecular weight of 242.26 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-fluoro-2-methylanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 82816959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).