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

C13H9FN4O2 — CID 59304985

IUPACN-(2-fluoro-4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESO=[N+]([O-])c1ccc(Nc2ccnc3[nH]ccc23)c(F)c1
InChIInChI=1S/C13H9FN4O2/c14-10-7-8(18(19)20)1-2-12(10)17-11-4-6-16-13-9(11)3-5-15-13/h1-7H,(H2,15,16,17)
InChIKeyZSZORARCOQFNAZ-UHFFFAOYSA-N
MW272.24 g/mol
LogP3.35
Rot. Bonds3

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

N-(2-fluoro-4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 59304985) has the molecular formula C13H9FN4O2 and a molecular weight of 272.24 g/mol. Its IUPAC name is N-(2-fluoro-4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID59304985
Molecular FormulaC13H9FN4O2
Molecular Weight272.24 g/mol
Exact Mass272.07
IUPAC NameN-(2-fluoro-4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESO=[N+]([O-])c1ccc(Nc2ccnc3[nH]ccc23)c(F)c1
InChIInChI=1S/C13H9FN4O2/c14-10-7-8(18(19)20)1-2-12(10)17-11-4-6-16-13-9(11)3-5-15-13/h1-7H,(H2,15,16,17)
InChIKeyZSZORARCOQFNAZ-UHFFFAOYSA-N
XLogP3.35
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 53.35
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-(2-fluoro-4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-(2-fluoro-4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 59304985) is N-(2-fluoro-4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-(2-fluoro-4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-(2-fluoro-4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine is O=[N+]([O-])c1ccc(Nc2ccnc3[nH]ccc23)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is ZSZORARCOQFNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O2/c14-10-7-8(18(19)20)1-2-12(10)17-11-4-6-16-13-9(11)3-5-15-13/h1-7H,(H2,15,16,17).
What are the key properties of N-(2-fluoro-4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
N-(2-fluoro-4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 272.24 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 59304985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).