2-[(E)-[(3,5-dichloro-4-pyridinyl)hydrazinylidene]methyl]-6-methoxyphenol

C13H11Cl2N3O2 — CID 135607573

IUPAC2-[(E)-[(3,5-dichloro-4-pyridinyl)hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/Nc2c(Cl)cncc2Cl)c1O
InChIInChI=1S/C13H11Cl2N3O2/c1-20-11-4-2-3-8(13(11)19)5-17-18-12-9(14)6-16-7-10(12)15/h2-7,19H,1H3,(H,16,18)/b17-5+
InChIKeyZFTYDHSJKFOZCC-YAXRCOADSA-N
MW312.16 g/mol
LogP3.55
Rot. Bonds4

About 2-[(E)-[(3,5-dichloro-4-pyridinyl)hydrazinylidene]methyl]-6-methoxyphenol

2-[(E)-[(3,5-dichloro-4-pyridinyl)hydrazinylidene]methyl]-6-methoxyphenol (PubChem CID 135607573) has the molecular formula C13H11Cl2N3O2 and a molecular weight of 312.16 g/mol. Its IUPAC name is 2-[(E)-[(3,5-dichloro-4-pyridinyl)hydrazinylidene]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(E)-[(3,5-dichloro-4-pyridinyl)hydrazinylidene]methyl]-6-methoxyphenol
PubChem CID135607573
Molecular FormulaC13H11Cl2N3O2
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name2-[(E)-[(3,5-dichloro-4-pyridinyl)hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/Nc2c(Cl)cncc2Cl)c1O
InChIInChI=1S/C13H11Cl2N3O2/c1-20-11-4-2-3-8(13(11)19)5-17-18-12-9(14)6-16-7-10(12)15/h2-7,19H,1H3,(H,16,18)/b17-5+
InChIKeyZFTYDHSJKFOZCC-YAXRCOADSA-N
XLogP3.55
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 53.55
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-{(E)-[2-(7-chloroquinolin-4-yl)hydrazinylidene]methyl}-2-methoxyphenol
CID 135515651
2-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-6-methoxyphenol
CID 135516999
4-[[(7-Chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 2851165
2-[[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-6-methoxyphenol
CID 3332413
3,5-dichloro-N-[(Z)-1-(2-fluoro-4-methoxyphenyl)ethylideneamino]pyridin-4-amine
CID 5792059
CID 9641763
CID 9641763
3,5-Dichloro-4-[(2E)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazin-1-YL]pyridine
CID 9681005
N-(3,5-dichloro-4-pyridinyl)-3-hydroxy-4-methoxybenzenecarboximidoyl fluoride
CID 53888301
4-[(Z)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 136272409
3,5-dichloro-N-[1-(2-fluoro-4-methoxyphenyl)ethylideneamino]pyridin-4-amine
CID 3319186
3,5-dichloro-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]pyridin-4-amine
CID 3957765
4-[[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenol
CID 4850499

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(3,5-dichloro-4-pyridinyl)hydrazinylidene]methyl]-6-methoxyphenol?
The IUPAC name of 2-[(E)-[(3,5-dichloro-4-pyridinyl)hydrazinylidene]methyl]-6-methoxyphenol (CID 135607573) is 2-[(E)-[(3,5-dichloro-4-pyridinyl)hydrazinylidene]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(E)-[(3,5-dichloro-4-pyridinyl)hydrazinylidene]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[(E)-[(3,5-dichloro-4-pyridinyl)hydrazinylidene]methyl]-6-methoxyphenol is COc1cccc(/C=N/Nc2c(Cl)cncc2Cl)c1O.
What is the InChIKey of 2-[(E)-[(3,5-dichloro-4-pyridinyl)hydrazinylidene]methyl]-6-methoxyphenol?
The InChIKey is ZFTYDHSJKFOZCC-YAXRCOADSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2/c1-20-11-4-2-3-8(13(11)19)5-17-18-12-9(14)6-16-7-10(12)15/h2-7,19H,1H3,(H,16,18)/b17-5+.
What are the key properties of 2-[(E)-[(3,5-dichloro-4-pyridinyl)hydrazinylidene]methyl]-6-methoxyphenol?
2-[(E)-[(3,5-dichloro-4-pyridinyl)hydrazinylidene]methyl]-6-methoxyphenol has a molecular weight of 312.16 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(3,5-dichloro-4-pyridinyl)hydrazinylidene]methyl]-6-methoxyphenol is sourced from PubChem (CID 135607573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).