2-fluoro-3-iodo-6-[(phenylhydrazinylidene)methyl]phenol

C13H10FIN2O — CID 169384110

IUPAC2-fluoro-3-iodo-6-[(phenylhydrazinylidene)methyl]phenol
SMILESOc1c(C=NNc2ccccc2)ccc(I)c1F
InChIInChI=1S/C13H10FIN2O/c14-12-11(15)7-6-9(13(12)18)8-16-17-10-4-2-1-3-5-10/h1-8,17-18H
InChIKeyUGCOQURXZZNNRU-UHFFFAOYSA-N
MW356.14 g/mol
LogP3.58
Rot. Bonds3

About 2-fluoro-3-iodo-6-[(phenylhydrazinylidene)methyl]phenol

2-fluoro-3-iodo-6-[(phenylhydrazinylidene)methyl]phenol (PubChem CID 169384110) has the molecular formula C13H10FIN2O and a molecular weight of 356.14 g/mol. Its IUPAC name is 2-fluoro-3-iodo-6-[(phenylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-3-iodo-6-[(phenylhydrazinylidene)methyl]phenol
PubChem CID169384110
Molecular FormulaC13H10FIN2O
Molecular Weight356.14 g/mol
Exact Mass355.98
IUPAC Name2-fluoro-3-iodo-6-[(phenylhydrazinylidene)methyl]phenol
SMILESOc1c(C=NNc2ccccc2)ccc(I)c1F
InChIInChI=1S/C13H10FIN2O/c14-12-11(15)7-6-9(13(12)18)8-16-17-10-4-2-1-3-5-10/h1-8,17-18H
InChIKeyUGCOQURXZZNNRU-UHFFFAOYSA-N
XLogP3.58
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.14
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-fluoro-3-iodo-6-[(phenylhydrazinylidene)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromo-3-fluoro-2-iodophenyl)methylideneamino]aniline
CID 169384095
4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381557
N-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline
CID 169381777
N-[(2,3,5-trifluorophenyl)methylideneamino]aniline
CID 169381722
2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 137080181
N-[(2-bromo-4-fluorophenyl)methylideneamino]aniline
CID 169381492
N-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline
CID 71145982
N-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510
N-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline
CID 169384109
2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenol
CID 169381520
2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
CID 136672918
N-[(3-chloro-2-iodophenyl)methylideneamino]aniline
CID 169383776

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-iodo-6-[(phenylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-fluoro-3-iodo-6-[(phenylhydrazinylidene)methyl]phenol (CID 169384110) is 2-fluoro-3-iodo-6-[(phenylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-fluoro-3-iodo-6-[(phenylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-fluoro-3-iodo-6-[(phenylhydrazinylidene)methyl]phenol is Oc1c(C=NNc2ccccc2)ccc(I)c1F.
What is the InChIKey of 2-fluoro-3-iodo-6-[(phenylhydrazinylidene)methyl]phenol?
The InChIKey is UGCOQURXZZNNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FIN2O/c14-12-11(15)7-6-9(13(12)18)8-16-17-10-4-2-1-3-5-10/h1-8,17-18H.
What are the key properties of 2-fluoro-3-iodo-6-[(phenylhydrazinylidene)methyl]phenol?
2-fluoro-3-iodo-6-[(phenylhydrazinylidene)methyl]phenol has a molecular weight of 356.14 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-iodo-6-[(phenylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 169384110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).