2,4-dichloro-6-[[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol

C12H10Cl2N4O2 — CID 136691682

IUPAC2,4-dichloro-6-[[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol
SMILESCOc1nccnc1NN=Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H10Cl2N4O2/c1-20-12-11(15-2-3-16-12)18-17-6-7-4-8(13)5-9(14)10(7)19/h2-6,19H,1H3,(H,15,18)
InChIKeyASWOHQAESHQYSJ-UHFFFAOYSA-N
MW313.14 g/mol
LogP2.94
Rot. Bonds4

About 2,4-dichloro-6-[[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol

2,4-dichloro-6-[[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 136691682) has the molecular formula C12H10Cl2N4O2 and a molecular weight of 313.14 g/mol. Its IUPAC name is 2,4-dichloro-6-[[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID136691682
Molecular FormulaC12H10Cl2N4O2
Molecular Weight313.14 g/mol
Exact Mass312.02
IUPAC Name2,4-dichloro-6-[[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol
SMILESCOc1nccnc1NN=Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H10Cl2N4O2/c1-20-12-11(15-2-3-16-12)18-17-6-7-4-8(13)5-9(14)10(7)19/h2-6,19H,1H3,(H,15,18)
InChIKeyASWOHQAESHQYSJ-UHFFFAOYSA-N
XLogP2.94
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 52.94
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

4-chloro-2-[(E)-[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol
CID 135537125
2,4-dichloro-6-[(E)-[(4-sulfanylphenyl)hydrazinylidene]methyl]phenol
CID 143199865
4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 135567955
2,4-dichloro-6-[[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 2796783
2,4-dichloro-6-[[[2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-6-(2-methoxyanilino)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 139976647
2,4-dichloro-6-[(E)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol
CID 135435636
3-methoxy-N-(quinolin-2-ylmethylideneamino)pyrazin-2-amine
CID 70237134
2,4-dichloro-6-[(4-methyl-2-pyridinyl)iminomethyl]phenol
CID 135759374
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenoxy)propanamide
CID 137309812
2,4-dichloro-6-[(E)-hydrazinylidenemethyl]phenol
CID 135445572
copper;N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide;diacetate
CID 135510087
[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
CID 793144

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol (CID 136691682) is 2,4-dichloro-6-[[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol is COc1nccnc1NN=Cc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is ASWOHQAESHQYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O2/c1-20-12-11(15-2-3-16-12)18-17-6-7-4-8(13)5-9(14)10(7)19/h2-6,19H,1H3,(H,15,18).
What are the key properties of 2,4-dichloro-6-[[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol?
2,4-dichloro-6-[[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 313.14 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136691682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).