3-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-benzofuran-1-ol

C15H9ClF3N3O2 — CID 135778423

IUPAC3-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-benzofuran-1-ol
SMILESOc1oc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)c2ccccc12
InChIInChI=1S/C15H9ClF3N3O2/c16-11-5-8(15(17,18)19)6-20-13(11)22-21-7-12-9-3-1-2-4-10(9)14(23)24-12/h1-7,23H,(H,20,22)/b21-7+
InChIKeyGGDJLJQGFNUYBY-QPSGOUHRSA-N
MW355.70 g/mol
LogP4.65
Rot. Bonds3

About 3-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-benzofuran-1-ol

3-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-benzofuran-1-ol (PubChem CID 135778423) has the molecular formula C15H9ClF3N3O2 and a molecular weight of 355.70 g/mol. Its IUPAC name is 3-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-benzofuran-1-ol.

Molecular Properties

Compound Name3-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-benzofuran-1-ol
PubChem CID135778423
Molecular FormulaC15H9ClF3N3O2
Molecular Weight355.70 g/mol
Exact Mass355.03
IUPAC Name3-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-benzofuran-1-ol
SMILESOc1oc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)c2ccccc12
InChIInChI=1S/C15H9ClF3N3O2/c16-11-5-8(15(17,18)19)6-20-13(11)22-21-7-12-9-3-1-2-4-10(9)14(23)24-12/h1-7,23H,(H,20,22)/b21-7+
InChIKeyGGDJLJQGFNUYBY-QPSGOUHRSA-N
XLogP4.65
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.70
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-benzofuran-1-ol?
The IUPAC name of 3-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-benzofuran-1-ol (CID 135778423) is 3-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-benzofuran-1-ol.
What is the SMILES notation for 3-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-benzofuran-1-ol?
The canonical SMILES for 3-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-benzofuran-1-ol is Oc1oc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)c2ccccc12.
What is the InChIKey of 3-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-benzofuran-1-ol?
The InChIKey is GGDJLJQGFNUYBY-QPSGOUHRSA-N. The full InChI is InChI=1S/C15H9ClF3N3O2/c16-11-5-8(15(17,18)19)6-20-13(11)22-21-7-12-9-3-1-2-4-10(9)14(23)24-12/h1-7,23H,(H,20,22)/b21-7+.
What are the key properties of 3-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-benzofuran-1-ol?
3-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-benzofuran-1-ol has a molecular weight of 355.70 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-benzofuran-1-ol is sourced from PubChem (CID 135778423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).