4,5-dichloro-2-pyridin-2-yloxyaniline

C11H8Cl2N2O — CID 107501007

IUPAC4,5-dichloro-2-pyridin-2-yloxyaniline
SMILESNc1cc(Cl)c(Cl)cc1Oc1ccccn1
InChIInChI=1S/C11H8Cl2N2O/c12-7-5-9(14)10(6-8(7)13)16-11-3-1-2-4-15-11/h1-6H,14H2
InChIKeySXPOEVIMDWIRIF-UHFFFAOYSA-N
MW255.10 g/mol
LogP3.76
Rot. Bonds2

About 4,5-dichloro-2-pyridin-2-yloxyaniline

4,5-dichloro-2-pyridin-2-yloxyaniline (PubChem CID 107501007) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 4,5-dichloro-2-pyridin-2-yloxyaniline.

Molecular Properties

Compound Name4,5-dichloro-2-pyridin-2-yloxyaniline
PubChem CID107501007
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name4,5-dichloro-2-pyridin-2-yloxyaniline
SMILESNc1cc(Cl)c(Cl)cc1Oc1ccccn1
InChIInChI=1S/C11H8Cl2N2O/c12-7-5-9(14)10(6-8(7)13)16-11-3-1-2-4-15-11/h1-6H,14H2
InChIKeySXPOEVIMDWIRIF-UHFFFAOYSA-N
XLogP3.76
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,5-dichloro-2-pyridin-2-yloxyaniline 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

4,5-dichloro-2-(2-methylpyrimidin-4-yl)oxyaniline
CID 107500964
2-(2-chloro-4-phenylphenoxy)pyridine
CID 141486105
3-methyl-4-pyridin-2-yloxyaniline
CID 69194589
3-chloro-4-pyridin-2-yloxybenzoic acid
CID 59625693
4,5-dichloro-2-(5-chloropyrimidin-2-yl)oxyaniline
CID 107501129
2-(5-bromoisoquinolin-1-yl)oxy-4,5-dichloroaniline
CID 107501100
5-amino-2-pyridin-2-yloxybenzonitrile
CID 61388646
2-(1,3-benzoxazol-2-yloxy)-4,5-dichloroaniline
CID 107501142
2-(1,3-benzothiazol-2-yloxy)-4,5-dichloroaniline
CID 107501103
3,5-dimethyl-4-pyridin-2-yloxyaniline
CID 129016357
(4-chlorophenyl)-(2-pyridin-2-yloxyphenyl)methanone
CID 132518040
(4,5-difluoro-2-pyridin-2-yloxyphenyl)methanamine
CID 68582586

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-pyridin-2-yloxyaniline?
The IUPAC name of 4,5-dichloro-2-pyridin-2-yloxyaniline (CID 107501007) is 4,5-dichloro-2-pyridin-2-yloxyaniline.
What is the SMILES notation for 4,5-dichloro-2-pyridin-2-yloxyaniline?
The canonical SMILES for 4,5-dichloro-2-pyridin-2-yloxyaniline is Nc1cc(Cl)c(Cl)cc1Oc1ccccn1.
What is the InChIKey of 4,5-dichloro-2-pyridin-2-yloxyaniline?
The InChIKey is SXPOEVIMDWIRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c12-7-5-9(14)10(6-8(7)13)16-11-3-1-2-4-15-11/h1-6H,14H2.
What are the key properties of 4,5-dichloro-2-pyridin-2-yloxyaniline?
4,5-dichloro-2-pyridin-2-yloxyaniline has a molecular weight of 255.10 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-pyridin-2-yloxyaniline is sourced from PubChem (CID 107501007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).