4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)aniline

C12H9FN4 — CID 55169075

IUPAC4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)aniline
SMILESNc1ccc(F)cc1-c1nc2ccncc2[nH]1
InChIInChI=1S/C12H9FN4/c13-7-1-2-9(14)8(5-7)12-16-10-3-4-15-6-11(10)17-12/h1-6H,14H2,(H,16,17)
InChIKeyZNBYSNUGNMRSJS-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.35
Rot. Bonds1

About 4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)aniline

4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)aniline (PubChem CID 55169075) has the molecular formula C12H9FN4 and a molecular weight of 228.23 g/mol. Its IUPAC name is 4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)aniline.

Molecular Properties

Compound Name4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)aniline
PubChem CID55169075
Molecular FormulaC12H9FN4
Molecular Weight228.23 g/mol
Exact Mass228.08
IUPAC Name4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)aniline
SMILESNc1ccc(F)cc1-c1nc2ccncc2[nH]1
InChIInChI=1S/C12H9FN4/c13-7-1-2-9(14)8(5-7)12-16-10-3-4-15-6-11(10)17-12/h1-6H,14H2,(H,16,17)
InChIKeyZNBYSNUGNMRSJS-UHFFFAOYSA-N
XLogP2.35
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.35
H-Bond Donors ≤ 52
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 4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)aniline?
The IUPAC name of 4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)aniline (CID 55169075) is 4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)aniline.
What is the SMILES notation for 4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)aniline?
The canonical SMILES for 4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)aniline is Nc1ccc(F)cc1-c1nc2ccncc2[nH]1.
What is the InChIKey of 4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)aniline?
The InChIKey is ZNBYSNUGNMRSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4/c13-7-1-2-9(14)8(5-7)12-16-10-3-4-15-6-11(10)17-12/h1-6H,14H2,(H,16,17).
What are the key properties of 4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)aniline?
4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)aniline has a molecular weight of 228.23 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)aniline is sourced from PubChem (CID 55169075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).