2-[[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol

C13H13ClN4O2 — CID 3099406

IUPAC2-[[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol
SMILESCCOc1ccc(C=NNc2nccnc2Cl)c(O)c1
InChIInChI=1S/C13H13ClN4O2/c1-2-20-10-4-3-9(11(19)7-10)8-17-18-13-12(14)15-5-6-16-13/h3-8,19H,2H2,1H3,(H,16,18)
InChIKeyWOERLMPVRALDCC-UHFFFAOYSA-N
MW292.73 g/mol
LogP2.68
Rot. Bonds5

About 2-[[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol

2-[[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol (PubChem CID 3099406) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 2-[[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol.

Molecular Properties

Compound Name2-[[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol
PubChem CID3099406
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name2-[[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol
SMILESCCOc1ccc(C=NNc2nccnc2Cl)c(O)c1
InChIInChI=1S/C13H13ClN4O2/c1-2-20-10-4-3-9(11(19)7-10)8-17-18-13-12(14)15-5-6-16-13/h3-8,19H,2H2,1H3,(H,16,18)
InChIKeyWOERLMPVRALDCC-UHFFFAOYSA-N
XLogP2.68
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-propoxyphenol
CID 135504514
4-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136831564
2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 135616077
2-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]phenol
CID 135506502
2-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 4674688
5-ethoxy-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 135676045
2-[(E)-[(4,6-diphenylpyrimidin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 135822458
2-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol
CID 3099282
5-ethoxy-2-[(E)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]phenol
CID 135459550
2-chloro-N-[(2,4-diethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 3933448
4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135828372
2-[[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol
CID 3099332

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol?
The IUPAC name of 2-[[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol (CID 3099406) is 2-[[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol.
What is the SMILES notation for 2-[[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol?
The canonical SMILES for 2-[[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol is CCOc1ccc(C=NNc2nccnc2Cl)c(O)c1.
What is the InChIKey of 2-[[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol?
The InChIKey is WOERLMPVRALDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-2-20-10-4-3-9(11(19)7-10)8-17-18-13-12(14)15-5-6-16-13/h3-8,19H,2H2,1H3,(H,16,18).
What are the key properties of 2-[[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol?
2-[[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol has a molecular weight of 292.73 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol is sourced from PubChem (CID 3099406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).