2-(2-amino-3,5-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine

C12H9Cl2N5 — CID 79820784

IUPAC2-(2-amino-3,5-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESNc1ccc2[nH]c(-c3cc(Cl)cc(Cl)c3N)nc2n1
InChIInChI=1S/C12H9Cl2N5/c13-5-3-6(10(16)7(14)4-5)11-17-8-1-2-9(15)18-12(8)19-11/h1-4H,16H2,(H3,15,17,18,19)
InChIKeyWLFAEOUZLYWDAD-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.10
Rot. Bonds1

About 2-(2-amino-3,5-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine

2-(2-amino-3,5-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79820784) has the molecular formula C12H9Cl2N5 and a molecular weight of 294.15 g/mol. Its IUPAC name is 2-(2-amino-3,5-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(2-amino-3,5-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79820784
Molecular FormulaC12H9Cl2N5
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name2-(2-amino-3,5-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESNc1ccc2[nH]c(-c3cc(Cl)cc(Cl)c3N)nc2n1
InChIInChI=1S/C12H9Cl2N5/c13-5-3-6(10(16)7(14)4-5)11-17-8-1-2-9(15)18-12(8)19-11/h1-4H,16H2,(H3,15,17,18,19)
InChIKeyWLFAEOUZLYWDAD-UHFFFAOYSA-N
XLogP3.10
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.10
H-Bond Donors ≤ 53
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-(2-amino-3,5-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(2-amino-3,5-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine (CID 79820784) is 2-(2-amino-3,5-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(2-amino-3,5-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(2-amino-3,5-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine is Nc1ccc2[nH]c(-c3cc(Cl)cc(Cl)c3N)nc2n1.
What is the InChIKey of 2-(2-amino-3,5-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is WLFAEOUZLYWDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N5/c13-5-3-6(10(16)7(14)4-5)11-17-8-1-2-9(15)18-12(8)19-11/h1-4H,16H2,(H3,15,17,18,19).
What are the key properties of 2-(2-amino-3,5-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine?
2-(2-amino-3,5-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 294.15 g/mol, XLogP of 3.10, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3,5-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79820784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).