N-(4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine

C13H10N4O2 — CID 59506780

IUPACN-(4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESO=[N+]([O-])c1ccc(Nc2cnc3[nH]ccc3c2)cc1
InChIInChI=1S/C13H10N4O2/c18-17(19)12-3-1-10(2-4-12)16-11-7-9-5-6-14-13(9)15-8-11/h1-8,16H,(H,14,15)
InChIKeyWNGFYVPQHCJXPH-UHFFFAOYSA-N
MW254.25 g/mol
LogP3.21
Rot. Bonds3

About N-(4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine

N-(4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine (PubChem CID 59506780) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-(4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

Compound NameN-(4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
PubChem CID59506780
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC NameN-(4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESO=[N+]([O-])c1ccc(Nc2cnc3[nH]ccc3c2)cc1
InChIInChI=1S/C13H10N4O2/c18-17(19)12-3-1-10(2-4-12)16-11-7-9-5-6-14-13(9)15-8-11/h1-8,16H,(H,14,15)
InChIKeyWNGFYVPQHCJXPH-UHFFFAOYSA-N
XLogP3.21
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The IUPAC name of N-(4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine (CID 59506780) is N-(4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine.
What is the SMILES notation for N-(4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The canonical SMILES for N-(4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine is O=[N+]([O-])c1ccc(Nc2cnc3[nH]ccc3c2)cc1.
What is the InChIKey of N-(4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The InChIKey is WNGFYVPQHCJXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c18-17(19)12-3-1-10(2-4-12)16-11-7-9-5-6-14-13(9)15-8-11/h1-8,16H,(H,14,15).
What are the key properties of N-(4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
N-(4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 254.25 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 59506780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).