3-(4-hydrazinyl-2-pyridinyl)benzonitrile

C12H10N4 — CID 102825226

IUPAC3-(4-hydrazinyl-2-pyridinyl)benzonitrile
SMILESN#Cc1cccc(-c2cc(NN)ccn2)c1
InChIInChI=1S/C12H10N4/c13-8-9-2-1-3-10(6-9)12-7-11(16-14)4-5-15-12/h1-7H,14H2,(H,15,16)
InChIKeyIKEAOJQKMIFEGM-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.91
Rot. Bonds2

About 3-(4-hydrazinyl-2-pyridinyl)benzonitrile

3-(4-hydrazinyl-2-pyridinyl)benzonitrile (PubChem CID 102825226) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-(4-hydrazinyl-2-pyridinyl)benzonitrile.

Molecular Properties

Compound Name3-(4-hydrazinyl-2-pyridinyl)benzonitrile
PubChem CID102825226
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name3-(4-hydrazinyl-2-pyridinyl)benzonitrile
SMILESN#Cc1cccc(-c2cc(NN)ccn2)c1
InChIInChI=1S/C12H10N4/c13-8-9-2-1-3-10(6-9)12-7-11(16-14)4-5-15-12/h1-7H,14H2,(H,15,16)
InChIKeyIKEAOJQKMIFEGM-UHFFFAOYSA-N
XLogP1.91
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydrazinyl-2-pyridinyl)benzonitrile?
The IUPAC name of 3-(4-hydrazinyl-2-pyridinyl)benzonitrile (CID 102825226) is 3-(4-hydrazinyl-2-pyridinyl)benzonitrile.
What is the SMILES notation for 3-(4-hydrazinyl-2-pyridinyl)benzonitrile?
The canonical SMILES for 3-(4-hydrazinyl-2-pyridinyl)benzonitrile is N#Cc1cccc(-c2cc(NN)ccn2)c1.
What is the InChIKey of 3-(4-hydrazinyl-2-pyridinyl)benzonitrile?
The InChIKey is IKEAOJQKMIFEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c13-8-9-2-1-3-10(6-9)12-7-11(16-14)4-5-15-12/h1-7H,14H2,(H,15,16).
What are the key properties of 3-(4-hydrazinyl-2-pyridinyl)benzonitrile?
3-(4-hydrazinyl-2-pyridinyl)benzonitrile has a molecular weight of 210.24 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydrazinyl-2-pyridinyl)benzonitrile is sourced from PubChem (CID 102825226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).