2-(3-cyano-6-hydroxy-4-methyl-1H-pyridin-2-ylidene)propanedinitrile

C10H6N4O — CID 3664324

IUPAC2-(3-cyano-6-hydroxy-4-methyl-1H-pyridin-2-ylidene)propanedinitrile
SMILESCC1=C(C#N)C(=C(C#N)C#N)NC(O)=C1
InChIInChI=1S/C10H6N4O/c1-6-2-9(15)14-10(8(6)5-13)7(3-11)4-12/h2,14-15H,1H3
InChIKeyZFXISJSBGCSMOS-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.13
Rot. Bonds

About 2-(3-cyano-6-hydroxy-4-methyl-1H-pyridin-2-ylidene)propanedinitrile

2-(3-cyano-6-hydroxy-4-methyl-1H-pyridin-2-ylidene)propanedinitrile (PubChem CID 3664324) has the molecular formula C10H6N4O and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(3-cyano-6-hydroxy-4-methyl-1H-pyridin-2-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(3-cyano-6-hydroxy-4-methyl-1H-pyridin-2-ylidene)propanedinitrile
PubChem CID3664324
Molecular FormulaC10H6N4O
Molecular Weight198.18 g/mol
Exact Mass198.05
IUPAC Name2-(3-cyano-6-hydroxy-4-methyl-1H-pyridin-2-ylidene)propanedinitrile
SMILESCC1=C(C#N)C(=C(C#N)C#N)NC(O)=C1
InChIInChI=1S/C10H6N4O/c1-6-2-9(15)14-10(8(6)5-13)7(3-11)4-12/h2,14-15H,1H3
InChIKeyZFXISJSBGCSMOS-UHFFFAOYSA-N
XLogP1.13
TPSA103.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-6-hydroxy-4-methyl-1H-pyridin-2-ylidene)propanedinitrile?
The IUPAC name of 2-(3-cyano-6-hydroxy-4-methyl-1H-pyridin-2-ylidene)propanedinitrile (CID 3664324) is 2-(3-cyano-6-hydroxy-4-methyl-1H-pyridin-2-ylidene)propanedinitrile.
What is the SMILES notation for 2-(3-cyano-6-hydroxy-4-methyl-1H-pyridin-2-ylidene)propanedinitrile?
The canonical SMILES for 2-(3-cyano-6-hydroxy-4-methyl-1H-pyridin-2-ylidene)propanedinitrile is CC1=C(C#N)C(=C(C#N)C#N)NC(O)=C1.
What is the InChIKey of 2-(3-cyano-6-hydroxy-4-methyl-1H-pyridin-2-ylidene)propanedinitrile?
The InChIKey is ZFXISJSBGCSMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O/c1-6-2-9(15)14-10(8(6)5-13)7(3-11)4-12/h2,14-15H,1H3.
What are the key properties of 2-(3-cyano-6-hydroxy-4-methyl-1H-pyridin-2-ylidene)propanedinitrile?
2-(3-cyano-6-hydroxy-4-methyl-1H-pyridin-2-ylidene)propanedinitrile has a molecular weight of 198.18 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-6-hydroxy-4-methyl-1H-pyridin-2-ylidene)propanedinitrile is sourced from PubChem (CID 3664324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).