2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyaniline

C10H9Cl2N3O — CID 146345870

IUPAC2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyaniline
SMILESCn1ccc(Oc2ccc(N)c(Cl)c2Cl)n1
InChIInChI=1S/C10H9Cl2N3O/c1-15-5-4-8(14-15)16-7-3-2-6(13)9(11)10(7)12/h2-5H,13H2,1H3
InChIKeyVBYQETUZQJAHCX-UHFFFAOYSA-N
MW258.11 g/mol
LogP3.10
Rot. Bonds2

About 2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyaniline

2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyaniline (PubChem CID 146345870) has the molecular formula C10H9Cl2N3O and a molecular weight of 258.11 g/mol. Its IUPAC name is 2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyaniline.

Molecular Properties

Compound Name2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyaniline
PubChem CID146345870
Molecular FormulaC10H9Cl2N3O
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyaniline
SMILESCn1ccc(Oc2ccc(N)c(Cl)c2Cl)n1
InChIInChI=1S/C10H9Cl2N3O/c1-15-5-4-8(14-15)16-7-3-2-6(13)9(11)10(7)12/h2-5H,13H2,1H3
InChIKeyVBYQETUZQJAHCX-UHFFFAOYSA-N
XLogP3.10
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 53.10
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 2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyaniline?
The IUPAC name of 2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyaniline (CID 146345870) is 2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyaniline.
What is the SMILES notation for 2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyaniline?
The canonical SMILES for 2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyaniline is Cn1ccc(Oc2ccc(N)c(Cl)c2Cl)n1.
What is the InChIKey of 2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyaniline?
The InChIKey is VBYQETUZQJAHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O/c1-15-5-4-8(14-15)16-7-3-2-6(13)9(11)10(7)12/h2-5H,13H2,1H3.
What are the key properties of 2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyaniline?
2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyaniline has a molecular weight of 258.11 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyaniline is sourced from PubChem (CID 146345870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).