4-chloro-2-[(E)-[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol

C12H11ClN4O2 — CID 135537125

IUPAC4-chloro-2-[(E)-[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol
SMILESCOc1nccnc1N/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C12H11ClN4O2/c1-19-12-11(14-4-5-15-12)17-16-7-8-6-9(13)2-3-10(8)18/h2-7,18H,1H3,(H,14,17)/b16-7+
InChIKeyZCQUOAFOQOXIRA-FRKPEAEDSA-N
MW278.70 g/mol
LogP2.29
Rot. Bonds4

About 4-chloro-2-[(E)-[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol

4-chloro-2-[(E)-[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135537125) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 4-chloro-2-[(E)-[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(E)-[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135537125
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC Name4-chloro-2-[(E)-[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol
SMILESCOc1nccnc1N/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C12H11ClN4O2/c1-19-12-11(14-4-5-15-12)17-16-7-8-6-9(13)2-3-10(8)18/h2-7,18H,1H3,(H,14,17)/b16-7+
InChIKeyZCQUOAFOQOXIRA-FRKPEAEDSA-N
XLogP2.29
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.29
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

2,4-dichloro-6-[[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol
CID 136691682
4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
CID 3878914
4-chloro-2-[(E)-[[4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 135508919
4-chloro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135684788
2-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]phenol
CID 135506502
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 872770
2-[2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]acetonitrile
CID 2315853
2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]acetonitrile
CID 135751917
4-chloro-2-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol
CID 135588733
4-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136831564
1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea
CID 135527074
1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)thiourea
CID 136683555

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-chloro-2-[(E)-[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol (CID 135537125) is 4-chloro-2-[(E)-[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[(E)-[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-chloro-2-[(E)-[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol is COc1nccnc1N/N=C/c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[(E)-[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is ZCQUOAFOQOXIRA-FRKPEAEDSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c1-19-12-11(14-4-5-15-12)17-16-7-8-6-9(13)2-3-10(8)18/h2-7,18H,1H3,(H,14,17)/b16-7+.
What are the key properties of 4-chloro-2-[(E)-[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol?
4-chloro-2-[(E)-[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 278.70 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135537125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).