4-[(E)-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-methylhydrazinylidene]methyl]benzene-1,3-diol

C14H11ClF3N3O2 — CID 135544971

IUPAC4-[(E)-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-methylhydrazinylidene]methyl]benzene-1,3-diol
SMILESCN(/N=C/c1ccc(O)cc1O)c1ncc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H11ClF3N3O2/c1-21(20-6-8-2-3-10(22)5-12(8)23)13-11(14(16,17)18)4-9(15)7-19-13/h2-7,22-23H,1H3/b20-6+
InChIKeyYYLJMCXCAXHHOJ-CGOBSMCZSA-N
MW345.71 g/mol
LogP3.64
Rot. Bonds3

About 4-[(E)-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-methylhydrazinylidene]methyl]benzene-1,3-diol

4-[(E)-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-methylhydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 135544971) has the molecular formula C14H11ClF3N3O2 and a molecular weight of 345.71 g/mol. Its IUPAC name is 4-[(E)-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-methylhydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-methylhydrazinylidene]methyl]benzene-1,3-diol
PubChem CID135544971
Molecular FormulaC14H11ClF3N3O2
Molecular Weight345.71 g/mol
Exact Mass345.05
IUPAC Name4-[(E)-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-methylhydrazinylidene]methyl]benzene-1,3-diol
SMILESCN(/N=C/c1ccc(O)cc1O)c1ncc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H11ClF3N3O2/c1-21(20-6-8-2-3-10(22)5-12(8)23)13-11(14(16,17)18)4-9(15)7-19-13/h2-7,22-23H,1H3/b20-6+
InChIKeyYYLJMCXCAXHHOJ-CGOBSMCZSA-N
XLogP3.64
TPSA68.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

2,4-Dihydroxybenzaldehyde [5-(trifluoromethyl)pyridin-2-yl]hydrazone
CID 135457735
4-[(6-Chloro-pyridin-2-yl)-hydrazonomethyl]-benzene-1,3-diol
CID 135495440
2,4-Dihydroxybenzaldehyde 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1-methylhydrazone
CID 135544972
2-[(E)-N-[(3,5-dichloro-2-pyridinyl)amino]-C-methylcarbonimidoyl]-5-methoxyphenol
CID 135401278
4-Hydroxybenzaldehyde (3,5-dichloropyridin-2-yl)hydrazone
CID 135580378
2-((5-Chloro-pyridin-2-ylimino)-methyl)-phenol
CID 321014
beta-Resorcylaldehyde, 2-pyridylhydrazone
CID 263866
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2(3H)-one
CID 2727165
Phenol, 2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]imino]methyl]-
CID 135533230
Cyto10C5
CID 136799715
4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzene-1,2,3-triol
CID 135675996
4-[[[5-(Trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzene-1,3-diol
CID 2873307

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-methylhydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-methylhydrazinylidene]methyl]benzene-1,3-diol (CID 135544971) is 4-[(E)-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-methylhydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-methylhydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-methylhydrazinylidene]methyl]benzene-1,3-diol is CN(/N=C/c1ccc(O)cc1O)c1ncc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-[(E)-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-methylhydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is YYLJMCXCAXHHOJ-CGOBSMCZSA-N. The full InChI is InChI=1S/C14H11ClF3N3O2/c1-21(20-6-8-2-3-10(22)5-12(8)23)13-11(14(16,17)18)4-9(15)7-19-13/h2-7,22-23H,1H3/b20-6+.
What are the key properties of 4-[(E)-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-methylhydrazinylidene]methyl]benzene-1,3-diol?
4-[(E)-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-methylhydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 345.71 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-methylhydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 135544971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).