2-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]phenol

C11H9ClN4O — CID 135506502

IUPAC2-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N\Nc1nccnc1Cl
InChIInChI=1S/C11H9ClN4O/c12-10-11(14-6-5-13-10)16-15-7-8-3-1-2-4-9(8)17/h1-7,17H,(H,14,16)/b15-7-
InChIKeyRKXBLJFRZIEOIM-CHHVJCJISA-N
MW248.67 g/mol
LogP2.28
Rot. Bonds3

About 2-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]phenol

2-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135506502) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 2-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135506502
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name2-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N\Nc1nccnc1Cl
InChIInChI=1S/C11H9ClN4O/c12-10-11(14-6-5-13-10)16-15-7-8-3-1-2-4-9(8)17/h1-7,17H,(H,14,16)/b15-7-
InChIKeyRKXBLJFRZIEOIM-CHHVJCJISA-N
XLogP2.28
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136831564
2-[[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 3099406
N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyrazine-2-carboximidamide
CID 170856215
2-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-propoxyphenol
CID 135504514
2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135439965
2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 3091226
2-[(E)-(quinazolin-4-ylhydrazinylidene)methyl]phenol
CID 135713775
2-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 2789386
6-chloro-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid
CID 135504515
4-chloro-2-[(E)-[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol
CID 135537125
2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 2854266
2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136767846

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]phenol (CID 135506502) is 2-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]phenol is Oc1ccccc1/C=N\Nc1nccnc1Cl.
What is the InChIKey of 2-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is RKXBLJFRZIEOIM-CHHVJCJISA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-10-11(14-6-5-13-10)16-15-7-8-3-1-2-4-9(8)17/h1-7,17H,(H,14,16)/b15-7-.
What are the key properties of 2-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]phenol?
2-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 248.67 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135506502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).