2,4-dichloro-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline

C12H7Cl2N3O — CID 95911073

IUPAC2,4-dichloro-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
SMILESNc1c(Cl)cc(Cl)cc1-c1nc2ncccc2o1
InChIInChI=1S/C12H7Cl2N3O/c13-6-4-7(10(15)8(14)5-6)12-17-11-9(18-12)2-1-3-16-11/h1-5H,15H2
InChIKeyIUAINBJAFUDIJU-UHFFFAOYSA-N
MW280.11 g/mol
LogP3.78
Rot. Bonds1

About 2,4-dichloro-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline

2,4-dichloro-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline (PubChem CID 95911073) has the molecular formula C12H7Cl2N3O and a molecular weight of 280.11 g/mol. Its IUPAC name is 2,4-dichloro-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline.

Molecular Properties

Compound Name2,4-dichloro-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
PubChem CID95911073
Molecular FormulaC12H7Cl2N3O
Molecular Weight280.11 g/mol
Exact Mass279.00
IUPAC Name2,4-dichloro-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
SMILESNc1c(Cl)cc(Cl)cc1-c1nc2ncccc2o1
InChIInChI=1S/C12H7Cl2N3O/c13-6-4-7(10(15)8(14)5-6)12-17-11-9(18-12)2-1-3-16-11/h1-5H,15H2
InChIKeyIUAINBJAFUDIJU-UHFFFAOYSA-N
XLogP3.78
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 53.78
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 2,4-dichloro-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
The IUPAC name of 2,4-dichloro-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline (CID 95911073) is 2,4-dichloro-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline.
What is the SMILES notation for 2,4-dichloro-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
The canonical SMILES for 2,4-dichloro-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline is Nc1c(Cl)cc(Cl)cc1-c1nc2ncccc2o1.
What is the InChIKey of 2,4-dichloro-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
The InChIKey is IUAINBJAFUDIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O/c13-6-4-7(10(15)8(14)5-6)12-17-11-9(18-12)2-1-3-16-11/h1-5H,15H2.
What are the key properties of 2,4-dichloro-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
2,4-dichloro-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline has a molecular weight of 280.11 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline is sourced from PubChem (CID 95911073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).