5-fluoro-2-(3-hydroxyanilino)-6-methylpyridine-3-carbonitrile

C13H10FN3O — CID 134187354

IUPAC5-fluoro-2-(3-hydroxyanilino)-6-methylpyridine-3-carbonitrile
SMILESCc1nc(Nc2cccc(O)c2)c(C#N)cc1F
InChIInChI=1S/C13H10FN3O/c1-8-12(14)5-9(7-15)13(16-8)17-10-3-2-4-11(18)6-10/h2-6,18H,1H3,(H,16,17)
InChIKeyVMGSPLPQRNJRII-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.85
Rot. Bonds2

About 5-fluoro-2-(3-hydroxyanilino)-6-methylpyridine-3-carbonitrile

5-fluoro-2-(3-hydroxyanilino)-6-methylpyridine-3-carbonitrile (PubChem CID 134187354) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 5-fluoro-2-(3-hydroxyanilino)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-fluoro-2-(3-hydroxyanilino)-6-methylpyridine-3-carbonitrile
PubChem CID134187354
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name5-fluoro-2-(3-hydroxyanilino)-6-methylpyridine-3-carbonitrile
SMILESCc1nc(Nc2cccc(O)c2)c(C#N)cc1F
InChIInChI=1S/C13H10FN3O/c1-8-12(14)5-9(7-15)13(16-8)17-10-3-2-4-11(18)6-10/h2-6,18H,1H3,(H,16,17)
InChIKeyVMGSPLPQRNJRII-UHFFFAOYSA-N
XLogP2.85
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-hydroxyanilino)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 5-fluoro-2-(3-hydroxyanilino)-6-methylpyridine-3-carbonitrile (CID 134187354) is 5-fluoro-2-(3-hydroxyanilino)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 5-fluoro-2-(3-hydroxyanilino)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 5-fluoro-2-(3-hydroxyanilino)-6-methylpyridine-3-carbonitrile is Cc1nc(Nc2cccc(O)c2)c(C#N)cc1F.
What is the InChIKey of 5-fluoro-2-(3-hydroxyanilino)-6-methylpyridine-3-carbonitrile?
The InChIKey is VMGSPLPQRNJRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c1-8-12(14)5-9(7-15)13(16-8)17-10-3-2-4-11(18)6-10/h2-6,18H,1H3,(H,16,17).
What are the key properties of 5-fluoro-2-(3-hydroxyanilino)-6-methylpyridine-3-carbonitrile?
5-fluoro-2-(3-hydroxyanilino)-6-methylpyridine-3-carbonitrile has a molecular weight of 243.24 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-hydroxyanilino)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 134187354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).