1-hydroxy-6,6-di(imidazol-1-yl)pyridine-3-carbonitrile

C12H10N6O — CID 68687577

IUPAC1-hydroxy-6,6-di(imidazol-1-yl)pyridine-3-carbonitrile
SMILESN#CC1=CN(O)C(n2ccnc2)(n2ccnc2)C=C1
InChIInChI=1S/C12H10N6O/c13-7-11-1-2-12(18(19)8-11,16-5-3-14-9-16)17-6-4-15-10-17/h1-6,8-10,19H
InChIKeyFNPSPAFCIXFLKP-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.91
Rot. Bonds2

About 1-hydroxy-6,6-di(imidazol-1-yl)pyridine-3-carbonitrile

1-hydroxy-6,6-di(imidazol-1-yl)pyridine-3-carbonitrile (PubChem CID 68687577) has the molecular formula C12H10N6O and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-hydroxy-6,6-di(imidazol-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-hydroxy-6,6-di(imidazol-1-yl)pyridine-3-carbonitrile
PubChem CID68687577
Molecular FormulaC12H10N6O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name1-hydroxy-6,6-di(imidazol-1-yl)pyridine-3-carbonitrile
SMILESN#CC1=CN(O)C(n2ccnc2)(n2ccnc2)C=C1
InChIInChI=1S/C12H10N6O/c13-7-11-1-2-12(18(19)8-11,16-5-3-14-9-16)17-6-4-15-10-17/h1-6,8-10,19H
InChIKeyFNPSPAFCIXFLKP-UHFFFAOYSA-N
XLogP0.91
TPSA82.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6,6-di(imidazol-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 1-hydroxy-6,6-di(imidazol-1-yl)pyridine-3-carbonitrile (CID 68687577) is 1-hydroxy-6,6-di(imidazol-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 1-hydroxy-6,6-di(imidazol-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 1-hydroxy-6,6-di(imidazol-1-yl)pyridine-3-carbonitrile is N#CC1=CN(O)C(n2ccnc2)(n2ccnc2)C=C1.
What is the InChIKey of 1-hydroxy-6,6-di(imidazol-1-yl)pyridine-3-carbonitrile?
The InChIKey is FNPSPAFCIXFLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O/c13-7-11-1-2-12(18(19)8-11,16-5-3-14-9-16)17-6-4-15-10-17/h1-6,8-10,19H.
What are the key properties of 1-hydroxy-6,6-di(imidazol-1-yl)pyridine-3-carbonitrile?
1-hydroxy-6,6-di(imidazol-1-yl)pyridine-3-carbonitrile has a molecular weight of 254.25 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6,6-di(imidazol-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 68687577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).