3-chloro-2-fluoro-4-(1-methylpyrazol-3-yl)oxyaniline

C10H9ClFN3O — CID 166538434

IUPAC3-chloro-2-fluoro-4-(1-methylpyrazol-3-yl)oxyaniline
SMILESCn1ccc(Oc2ccc(N)c(F)c2Cl)n1
InChIInChI=1S/C10H9ClFN3O/c1-15-5-4-8(14-15)16-7-3-2-6(13)10(12)9(7)11/h2-5H,13H2,1H3
InChIKeyREOFXVVHKRBZKA-UHFFFAOYSA-N
MW241.65 g/mol
LogP2.59
Rot. Bonds2

About 3-chloro-2-fluoro-4-(1-methylpyrazol-3-yl)oxyaniline

3-chloro-2-fluoro-4-(1-methylpyrazol-3-yl)oxyaniline (PubChem CID 166538434) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is 3-chloro-2-fluoro-4-(1-methylpyrazol-3-yl)oxyaniline.

Molecular Properties

Compound Name3-chloro-2-fluoro-4-(1-methylpyrazol-3-yl)oxyaniline
PubChem CID166538434
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name3-chloro-2-fluoro-4-(1-methylpyrazol-3-yl)oxyaniline
SMILESCn1ccc(Oc2ccc(N)c(F)c2Cl)n1
InChIInChI=1S/C10H9ClFN3O/c1-15-5-4-8(14-15)16-7-3-2-6(13)10(12)9(7)11/h2-5H,13H2,1H3
InChIKeyREOFXVVHKRBZKA-UHFFFAOYSA-N
XLogP2.59
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-4-(1-methylpyrazol-3-yl)oxyaniline?
The IUPAC name of 3-chloro-2-fluoro-4-(1-methylpyrazol-3-yl)oxyaniline (CID 166538434) is 3-chloro-2-fluoro-4-(1-methylpyrazol-3-yl)oxyaniline.
What is the SMILES notation for 3-chloro-2-fluoro-4-(1-methylpyrazol-3-yl)oxyaniline?
The canonical SMILES for 3-chloro-2-fluoro-4-(1-methylpyrazol-3-yl)oxyaniline is Cn1ccc(Oc2ccc(N)c(F)c2Cl)n1.
What is the InChIKey of 3-chloro-2-fluoro-4-(1-methylpyrazol-3-yl)oxyaniline?
The InChIKey is REOFXVVHKRBZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c1-15-5-4-8(14-15)16-7-3-2-6(13)10(12)9(7)11/h2-5H,13H2,1H3.
What are the key properties of 3-chloro-2-fluoro-4-(1-methylpyrazol-3-yl)oxyaniline?
3-chloro-2-fluoro-4-(1-methylpyrazol-3-yl)oxyaniline has a molecular weight of 241.65 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-4-(1-methylpyrazol-3-yl)oxyaniline is sourced from PubChem (CID 166538434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).