5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile

C13H8FN5 — CID 103468902

IUPAC5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile
SMILESN#Cc1cnc(Nc2ccc(F)cc2C#N)c(N)c1
InChIInChI=1S/C13H8FN5/c14-10-1-2-12(9(4-10)6-16)19-13-11(17)3-8(5-15)7-18-13/h1-4,7H,17H2,(H,18,19)
InChIKeyKYPREUMVQXNCNZ-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.29
Rot. Bonds2

About 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile

5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile (PubChem CID 103468902) has the molecular formula C13H8FN5 and a molecular weight of 253.24 g/mol. Its IUPAC name is 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile
PubChem CID103468902
Molecular FormulaC13H8FN5
Molecular Weight253.24 g/mol
Exact Mass253.08
IUPAC Name5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile
SMILESN#Cc1cnc(Nc2ccc(F)cc2C#N)c(N)c1
InChIInChI=1S/C13H8FN5/c14-10-1-2-12(9(4-10)6-16)19-13-11(17)3-8(5-15)7-18-13/h1-4,7H,17H2,(H,18,19)
InChIKeyKYPREUMVQXNCNZ-UHFFFAOYSA-N
XLogP2.29
TPSA98.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-(5-chloro-2-cyanoanilino)pyridine-3-carbonitrile
CID 103468593
2-(2-amino-4-fluoroanilino)-5-fluorobenzonitrile
CID 82013407
2-[(3-aminopyrazin-2-yl)amino]-5-fluorobenzonitrile
CID 102987010
5-amino-6-(3-fluoro-2-methylanilino)pyridine-3-carbonitrile
CID 103468059
2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-5-fluorobenzonitrile
CID 82684581
5-amino-2-(2-cyano-4-fluoroanilino)pyridine-3-carboxamide
CID 82012776
5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 54860679
2-[(3-amino-5-methyl-2-pyridinyl)amino]-5-bromobenzonitrile
CID 82702734
2-(4-aminoanilino)-5-fluorobenzonitrile
CID 63672563
2-(2-amino-4-methylanilino)-5-fluorobenzonitrile
CID 82013404
2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorobenzonitrile
CID 82016257
5-fluoro-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile
CID 82683530

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile (CID 103468902) is 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile is N#Cc1cnc(Nc2ccc(F)cc2C#N)c(N)c1.
What is the InChIKey of 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile?
The InChIKey is KYPREUMVQXNCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN5/c14-10-1-2-12(9(4-10)6-16)19-13-11(17)3-8(5-15)7-18-13/h1-4,7H,17H2,(H,18,19).
What are the key properties of 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile?
5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile has a molecular weight of 253.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 103468902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).