4-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol

C11H9ClN4O2 — CID 136831564

IUPAC4-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N\Nc2nccnc2Cl)c(O)c1
InChIInChI=1S/C11H9ClN4O2/c12-10-11(14-4-3-13-10)16-15-6-7-1-2-8(17)5-9(7)18/h1-6,17-18H,(H,14,16)/b15-6-
InChIKeyZZGUTSFAPDWRMW-UUASQNMZSA-N
MW264.67 g/mol
LogP1.99
Rot. Bonds3

About 4-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol

4-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 136831564) has the molecular formula C11H9ClN4O2 and a molecular weight of 264.67 g/mol. Its IUPAC name is 4-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID136831564
Molecular FormulaC11H9ClN4O2
Molecular Weight264.67 g/mol
Exact Mass264.04
IUPAC Name4-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N\Nc2nccnc2Cl)c(O)c1
InChIInChI=1S/C11H9ClN4O2/c12-10-11(14-4-3-13-10)16-15-6-7-1-2-8(17)5-9(7)18/h1-6,17-18H,(H,14,16)/b15-6-
InChIKeyZZGUTSFAPDWRMW-UUASQNMZSA-N
XLogP1.99
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]phenol
CID 135506502
2-[[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 3099406
2-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-propoxyphenol
CID 135504514
4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135828372
4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135824362
4-[(E)-[[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 137185504
4-[(Z)-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 136919083
5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 135412186
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
4-[[(5-methyl-1,3,4-thiadiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 4639041
4-chloro-2-[(E)-[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol
CID 135537125
4-[(Z)-[(2-benzylsulfanylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136831568

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol (CID 136831564) is 4-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol is Oc1ccc(/C=N\Nc2nccnc2Cl)c(O)c1.
What is the InChIKey of 4-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is ZZGUTSFAPDWRMW-UUASQNMZSA-N. The full InChI is InChI=1S/C11H9ClN4O2/c12-10-11(14-4-3-13-10)16-15-6-7-1-2-8(17)5-9(7)18/h1-6,17-18H,(H,14,16)/b15-6-.
What are the key properties of 4-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
4-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 264.67 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 136831564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).