3-(2,5-diaminophenyl)pyridine-4-carbonitrile

C12H10N4 — CID 18415391

IUPAC3-(2,5-diaminophenyl)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1-c1cc(N)ccc1N
InChIInChI=1S/C12H10N4/c13-6-8-3-4-16-7-11(8)10-5-9(14)1-2-12(10)15/h1-5,7H,14-15H2
InChIKeyDWPAXCSRTAYHTK-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.78
Rot. Bonds1

About 3-(2,5-diaminophenyl)pyridine-4-carbonitrile

3-(2,5-diaminophenyl)pyridine-4-carbonitrile (PubChem CID 18415391) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-(2,5-diaminophenyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(2,5-diaminophenyl)pyridine-4-carbonitrile
PubChem CID18415391
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name3-(2,5-diaminophenyl)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1-c1cc(N)ccc1N
InChIInChI=1S/C12H10N4/c13-6-8-3-4-16-7-11(8)10-5-9(14)1-2-12(10)15/h1-5,7H,14-15H2
InChIKeyDWPAXCSRTAYHTK-UHFFFAOYSA-N
XLogP1.78
TPSA88.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-diaminophenyl)pyridine-4-carbonitrile?
The IUPAC name of 3-(2,5-diaminophenyl)pyridine-4-carbonitrile (CID 18415391) is 3-(2,5-diaminophenyl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(2,5-diaminophenyl)pyridine-4-carbonitrile?
The canonical SMILES for 3-(2,5-diaminophenyl)pyridine-4-carbonitrile is N#Cc1ccncc1-c1cc(N)ccc1N.
What is the InChIKey of 3-(2,5-diaminophenyl)pyridine-4-carbonitrile?
The InChIKey is DWPAXCSRTAYHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c13-6-8-3-4-16-7-11(8)10-5-9(14)1-2-12(10)15/h1-5,7H,14-15H2.
What are the key properties of 3-(2,5-diaminophenyl)pyridine-4-carbonitrile?
3-(2,5-diaminophenyl)pyridine-4-carbonitrile has a molecular weight of 210.24 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-diaminophenyl)pyridine-4-carbonitrile is sourced from PubChem (CID 18415391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).