6-(2,6-difluorophenyl)-2-hydrazinylpyridine-3-carbonitrile

C12H8F2N4 — CID 62252276

IUPAC6-(2,6-difluorophenyl)-2-hydrazinylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2c(F)cccc2F)nc1NN
InChIInChI=1S/C12H8F2N4/c13-8-2-1-3-9(14)11(8)10-5-4-7(6-15)12(17-10)18-16/h1-5H,16H2,(H,17,18)
InChIKeyAJMQCQPVPQPAKO-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.18
Rot. Bonds2

About 6-(2,6-difluorophenyl)-2-hydrazinylpyridine-3-carbonitrile

6-(2,6-difluorophenyl)-2-hydrazinylpyridine-3-carbonitrile (PubChem CID 62252276) has the molecular formula C12H8F2N4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-2-hydrazinylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-2-hydrazinylpyridine-3-carbonitrile
PubChem CID62252276
Molecular FormulaC12H8F2N4
Molecular Weight246.22 g/mol
Exact Mass246.07
IUPAC Name6-(2,6-difluorophenyl)-2-hydrazinylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2c(F)cccc2F)nc1NN
InChIInChI=1S/C12H8F2N4/c13-8-2-1-3-9(14)11(8)10-5-4-7(6-15)12(17-10)18-16/h1-5H,16H2,(H,17,18)
InChIKeyAJMQCQPVPQPAKO-UHFFFAOYSA-N
XLogP2.18
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.18
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 6-(2,6-difluorophenyl)-2-hydrazinylpyridine-3-carbonitrile?
The IUPAC name of 6-(2,6-difluorophenyl)-2-hydrazinylpyridine-3-carbonitrile (CID 62252276) is 6-(2,6-difluorophenyl)-2-hydrazinylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(2,6-difluorophenyl)-2-hydrazinylpyridine-3-carbonitrile?
The canonical SMILES for 6-(2,6-difluorophenyl)-2-hydrazinylpyridine-3-carbonitrile is N#Cc1ccc(-c2c(F)cccc2F)nc1NN.
What is the InChIKey of 6-(2,6-difluorophenyl)-2-hydrazinylpyridine-3-carbonitrile?
The InChIKey is AJMQCQPVPQPAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N4/c13-8-2-1-3-9(14)11(8)10-5-4-7(6-15)12(17-10)18-16/h1-5H,16H2,(H,17,18).
What are the key properties of 6-(2,6-difluorophenyl)-2-hydrazinylpyridine-3-carbonitrile?
6-(2,6-difluorophenyl)-2-hydrazinylpyridine-3-carbonitrile has a molecular weight of 246.22 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-2-hydrazinylpyridine-3-carbonitrile is sourced from PubChem (CID 62252276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).