4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2,6-dimethoxyphenol

C15H13ClF3N3O3 — CID 135521633

IUPAC4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)cc(OC)c1O
InChIInChI=1S/C15H13ClF3N3O3/c1-24-11-3-8(4-12(25-2)13(11)23)6-21-22-14-10(16)5-9(7-20-14)15(17,18)19/h3-7,23H,1-2H3,(H,20,22)/b21-6+
InChIKeyZIVUWSQENFGCPQ-AERZKKPOSA-N
MW375.73 g/mol
LogP3.92
Rot. Bonds5

About 4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2,6-dimethoxyphenol

4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2,6-dimethoxyphenol (PubChem CID 135521633) has the molecular formula C15H13ClF3N3O3 and a molecular weight of 375.73 g/mol. Its IUPAC name is 4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2,6-dimethoxyphenol
PubChem CID135521633
Molecular FormulaC15H13ClF3N3O3
Molecular Weight375.73 g/mol
Exact Mass375.06
IUPAC Name4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)cc(OC)c1O
InChIInChI=1S/C15H13ClF3N3O3/c1-24-11-3-8(4-12(25-2)13(11)23)6-21-22-14-10(16)5-9(7-20-14)15(17,18)19/h3-7,23H,1-2H3,(H,20,22)/b21-6+
InChIKeyZIVUWSQENFGCPQ-AERZKKPOSA-N
XLogP3.92
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.73
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 9676245
4-Hydroxy-3,5-dimethoxybenzaldehyde pyridin-2-ylhydrazone
CID 135470845
2-methoxy-4-{(E)-[2-(pyridin-2-yl)hydrazinylidene]methyl}phenol
CID 135650540
2-[(E)-N-[(3,5-dichloro-2-pyridinyl)amino]-C-methylcarbonimidoyl]-5-methoxyphenol
CID 135401278
3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-1-[(E)-[(3-ethoxy-4-hydroxyphenyl)methylidene]amino]urea
CID 135439666
2-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-6-methoxyphenol
CID 135516999
2,6-dimethoxy-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol
CID 135519893
(5Z)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 2320033
3-chloro-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 9569073
2-Methoxy-5-(pyridin-2-yl-hydrazonomethyl)-phenol
CID 9636393
3-chloro-5-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 9640048
3-chloro-5-(trifluoromethyl)-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 9676003

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2,6-dimethoxyphenol (CID 135521633) is 4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2,6-dimethoxyphenol is COc1cc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)cc(OC)c1O.
What is the InChIKey of 4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2,6-dimethoxyphenol?
The InChIKey is ZIVUWSQENFGCPQ-AERZKKPOSA-N. The full InChI is InChI=1S/C15H13ClF3N3O3/c1-24-11-3-8(4-12(25-2)13(11)23)6-21-22-14-10(16)5-9(7-20-14)15(17,18)19/h3-7,23H,1-2H3,(H,20,22)/b21-6+.
What are the key properties of 4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2,6-dimethoxyphenol?
4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2,6-dimethoxyphenol has a molecular weight of 375.73 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 135521633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).