4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol

C13H10F2N2O2 — CID 135755003

IUPAC4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2ccc(F)cc2F)c(O)c1
InChIInChI=1S/C13H10F2N2O2/c14-9-2-4-12(11(15)5-9)17-16-7-8-1-3-10(18)6-13(8)19/h1-7,17-19H/b16-7+
InChIKeyQVEFRPNVTDKWMJ-FRKPEAEDSA-N
MW264.23 g/mol
LogP2.82
Rot. Bonds3

About 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol

4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 135755003) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID135755003
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2ccc(F)cc2F)c(O)c1
InChIInChI=1S/C13H10F2N2O2/c14-9-2-4-12(11(15)5-9)17-16-7-8-1-3-10(18)6-13(8)19/h1-7,17-19H/b16-7+
InChIKeyQVEFRPNVTDKWMJ-FRKPEAEDSA-N
XLogP2.82
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135824362
2,6-dibromo-4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol
CID 135548670
1-[[(2,4-difluorophenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 3286137
5-[[(2,4-difluorophenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 4654960
N-[(4-bromophenyl)methylideneamino]-2,4-difluoroaniline
CID 4218945
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135533486
N-[(Z)-(2,4-dichloropyrimidin-5-yl)methylideneamino]-2,4-difluoroaniline
CID 176675526
N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 135684849
4-[(E)-hydroxyiminomethyl]benzene-1,3-diol
CID 135408746
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
4-[[(2,4-difluorophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 4288655
2,4-difluoro-N-[(Z)-(2-morpholin-4-ylquinolin-3-yl)methylideneamino]aniline
CID 9112272

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol (CID 135755003) is 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol is Oc1ccc(/C=N/Nc2ccc(F)cc2F)c(O)c1.
What is the InChIKey of 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is QVEFRPNVTDKWMJ-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-9-2-4-12(11(15)5-9)17-16-7-8-1-3-10(18)6-13(8)19/h1-7,17-19H/b16-7+.
What are the key properties of 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol?
4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 264.23 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 135755003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).