4-fluoro-5-iodo-2-(1-methylpyrazol-4-yl)oxyaniline

C10H9FIN3O — CID 116792433

IUPAC4-fluoro-5-iodo-2-(1-methylpyrazol-4-yl)oxyaniline
SMILESCn1cc(Oc2cc(F)c(I)cc2N)cn1
InChIInChI=1S/C10H9FIN3O/c1-15-5-6(4-14-15)16-10-2-7(11)8(12)3-9(10)13/h2-5H,13H2,1H3
InChIKeyBPOAYXGSCITQHX-UHFFFAOYSA-N
MW333.10 g/mol
LogP2.54
Rot. Bonds2

About 4-fluoro-5-iodo-2-(1-methylpyrazol-4-yl)oxyaniline

4-fluoro-5-iodo-2-(1-methylpyrazol-4-yl)oxyaniline (PubChem CID 116792433) has the molecular formula C10H9FIN3O and a molecular weight of 333.10 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-(1-methylpyrazol-4-yl)oxyaniline.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-(1-methylpyrazol-4-yl)oxyaniline
PubChem CID116792433
Molecular FormulaC10H9FIN3O
Molecular Weight333.10 g/mol
Exact Mass332.98
IUPAC Name4-fluoro-5-iodo-2-(1-methylpyrazol-4-yl)oxyaniline
SMILESCn1cc(Oc2cc(F)c(I)cc2N)cn1
InChIInChI=1S/C10H9FIN3O/c1-15-5-6(4-14-15)16-10-2-7(11)8(12)3-9(10)13/h2-5H,13H2,1H3
InChIKeyBPOAYXGSCITQHX-UHFFFAOYSA-N
XLogP2.54
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.10
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-fluoro-5-iodo-2-(1-methylpyrazol-4-yl)oxyaniline 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

5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)oxyaniline
CID 116792446
3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline
CID 116792351
3,4-difluoro-2-(1-methylpyrazol-4-yl)oxyaniline
CID 116792425
4-fluoro-5-iodo-2-(3-methylphenoxy)aniline
CID 66100148
5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
CID 116800247
4-amino-3-(1-methylpyrazol-4-yl)oxybenzamide
CID 116792417
3-amino-4-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116793241
4-fluoro-5-iodo-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 66102111
4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine
CID 106748568
4-fluoro-5-iodo-2-quinolin-3-yloxyaniline
CID 107386951
5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
CID 116800312
2-fluoro-4-(1-methylpyrazol-4-yl)oxy-5-nitrobenzoic acid
CID 116792576

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-(1-methylpyrazol-4-yl)oxyaniline?
The IUPAC name of 4-fluoro-5-iodo-2-(1-methylpyrazol-4-yl)oxyaniline (CID 116792433) is 4-fluoro-5-iodo-2-(1-methylpyrazol-4-yl)oxyaniline.
What is the SMILES notation for 4-fluoro-5-iodo-2-(1-methylpyrazol-4-yl)oxyaniline?
The canonical SMILES for 4-fluoro-5-iodo-2-(1-methylpyrazol-4-yl)oxyaniline is Cn1cc(Oc2cc(F)c(I)cc2N)cn1.
What is the InChIKey of 4-fluoro-5-iodo-2-(1-methylpyrazol-4-yl)oxyaniline?
The InChIKey is BPOAYXGSCITQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FIN3O/c1-15-5-6(4-14-15)16-10-2-7(11)8(12)3-9(10)13/h2-5H,13H2,1H3.
What are the key properties of 4-fluoro-5-iodo-2-(1-methylpyrazol-4-yl)oxyaniline?
4-fluoro-5-iodo-2-(1-methylpyrazol-4-yl)oxyaniline has a molecular weight of 333.10 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-2-(1-methylpyrazol-4-yl)oxyaniline is sourced from PubChem (CID 116792433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).