6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile

C10H7BrN4S — CID 107355275

IUPAC6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cc(Br)cs2)nc1NN
InChIInChI=1S/C10H7BrN4S/c11-7-3-9(16-5-7)8-2-1-6(4-12)10(14-8)15-13/h1-3,5H,13H2,(H,14,15)
InChIKeyJEBTVLVCDGZGBG-UHFFFAOYSA-N
MW295.17 g/mol
LogP2.73
Rot. Bonds2

About 6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile

6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile (PubChem CID 107355275) has the molecular formula C10H7BrN4S and a molecular weight of 295.17 g/mol. Its IUPAC name is 6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile
PubChem CID107355275
Molecular FormulaC10H7BrN4S
Molecular Weight295.17 g/mol
Exact Mass293.96
IUPAC Name6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cc(Br)cs2)nc1NN
InChIInChI=1S/C10H7BrN4S/c11-7-3-9(16-5-7)8-2-1-6(4-12)10(14-8)15-13/h1-3,5H,13H2,(H,14,15)
InChIKeyJEBTVLVCDGZGBG-UHFFFAOYSA-N
XLogP2.73
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile?
The IUPAC name of 6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile (CID 107355275) is 6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile?
The canonical SMILES for 6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile is N#Cc1ccc(-c2cc(Br)cs2)nc1NN.
What is the InChIKey of 6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile?
The InChIKey is JEBTVLVCDGZGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4S/c11-7-3-9(16-5-7)8-2-1-6(4-12)10(14-8)15-13/h1-3,5H,13H2,(H,14,15).
What are the key properties of 6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile?
6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile has a molecular weight of 295.17 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile is sourced from PubChem (CID 107355275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).