(1R,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]-7-fluoro-1-methyl-1,2-dihydroinden-4-ol

C15H12Cl2FN3O — CID 135836986

IUPAC(1R,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]-7-fluoro-1-methyl-1,2-dihydroinden-4-ol
SMILESC[C@@H]1C/C(=N\Nc2ncc(Cl)cc2Cl)c2c(O)ccc(F)c21
InChIInChI=1S/C15H12Cl2FN3O/c1-7-4-11(14-12(22)3-2-10(18)13(7)14)20-21-15-9(17)5-8(16)6-19-15/h2-3,5-7,22H,4H2,1H3,(H,19,21)/b20-11+/t7-/m1/s1
InChIKeyUIWJJFMFXBVNBK-GISYMBHFSA-N
MW340.19 g/mol
LogP4.56
Rot. Bonds2

About (1R,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]-7-fluoro-1-methyl-1,2-dihydroinden-4-ol

(1R,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]-7-fluoro-1-methyl-1,2-dihydroinden-4-ol (PubChem CID 135836986) has the molecular formula C15H12Cl2FN3O and a molecular weight of 340.19 g/mol. Its IUPAC name is (1R,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]-7-fluoro-1-methyl-1,2-dihydroinden-4-ol.

Molecular Properties

Compound Name(1R,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]-7-fluoro-1-methyl-1,2-dihydroinden-4-ol
PubChem CID135836986
Molecular FormulaC15H12Cl2FN3O
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Name(1R,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]-7-fluoro-1-methyl-1,2-dihydroinden-4-ol
SMILESC[C@@H]1C/C(=N\Nc2ncc(Cl)cc2Cl)c2c(O)ccc(F)c21
InChIInChI=1S/C15H12Cl2FN3O/c1-7-4-11(14-12(22)3-2-10(18)13(7)14)20-21-15-9(17)5-8(16)6-19-15/h2-3,5-7,22H,4H2,1H3,(H,19,21)/b20-11+/t7-/m1/s1
InChIKeyUIWJJFMFXBVNBK-GISYMBHFSA-N
XLogP4.56
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (1R,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]-7-fluoro-1-methyl-1,2-dihydroinden-4-ol?
The IUPAC name of (1R,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]-7-fluoro-1-methyl-1,2-dihydroinden-4-ol (CID 135836986) is (1R,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]-7-fluoro-1-methyl-1,2-dihydroinden-4-ol.
What is the SMILES notation for (1R,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]-7-fluoro-1-methyl-1,2-dihydroinden-4-ol?
The canonical SMILES for (1R,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]-7-fluoro-1-methyl-1,2-dihydroinden-4-ol is C[C@@H]1C/C(=N\Nc2ncc(Cl)cc2Cl)c2c(O)ccc(F)c21.
What is the InChIKey of (1R,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]-7-fluoro-1-methyl-1,2-dihydroinden-4-ol?
The InChIKey is UIWJJFMFXBVNBK-GISYMBHFSA-N. The full InChI is InChI=1S/C15H12Cl2FN3O/c1-7-4-11(14-12(22)3-2-10(18)13(7)14)20-21-15-9(17)5-8(16)6-19-15/h2-3,5-7,22H,4H2,1H3,(H,19,21)/b20-11+/t7-/m1/s1.
What are the key properties of (1R,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]-7-fluoro-1-methyl-1,2-dihydroinden-4-ol?
(1R,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]-7-fluoro-1-methyl-1,2-dihydroinden-4-ol has a molecular weight of 340.19 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3E)-3-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]-7-fluoro-1-methyl-1,2-dihydroinden-4-ol is sourced from PubChem (CID 135836986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).