2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine

C13H14N4 — CID 91368267

IUPAC2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine
SMILESNc1ccc(-c2cc3c([nH]2)=CCC(N)N=3)cc1
InChIInChI=1S/C13H14N4/c14-9-3-1-8(2-4-9)11-7-12-10(16-11)5-6-13(15)17-12/h1-5,7,13,16H,6,14-15H2
InChIKeyNYWKZCNIYGNONA-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.35
Rot. Bonds1

About 2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine

2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine (PubChem CID 91368267) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine
PubChem CID91368267
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine
SMILESNc1ccc(-c2cc3c([nH]2)=CCC(N)N=3)cc1
InChIInChI=1S/C13H14N4/c14-9-3-1-8(2-4-9)11-7-12-10(16-11)5-6-13(15)17-12/h1-5,7,13,16H,6,14-15H2
InChIKeyNYWKZCNIYGNONA-UHFFFAOYSA-N
XLogP0.35
TPSA80.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine?
The IUPAC name of 2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine (CID 91368267) is 2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine.
What is the SMILES notation for 2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine?
The canonical SMILES for 2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine is Nc1ccc(-c2cc3c([nH]2)=CCC(N)N=3)cc1.
What is the InChIKey of 2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine?
The InChIKey is NYWKZCNIYGNONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c14-9-3-1-8(2-4-9)11-7-12-10(16-11)5-6-13(15)17-12/h1-5,7,13,16H,6,14-15H2.
What are the key properties of 2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine?
2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine has a molecular weight of 226.28 g/mol, XLogP of 0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-5-amine is sourced from PubChem (CID 91368267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).