6-fluoro-5-(1H-imidazol-5-yl)pyridin-2-amine

C8H7FN4 — CID 175935597

IUPAC6-fluoro-5-(1H-imidazol-5-yl)pyridin-2-amine
SMILESNc1ccc(-c2cnc[nH]2)c(F)n1
InChIInChI=1S/C8H7FN4/c9-8-5(1-2-7(10)13-8)6-3-11-4-12-6/h1-4H,(H2,10,13)(H,11,12)
InChIKeyMEZSROFNBKZEIF-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.19
Rot. Bonds1

About 6-fluoro-5-(1H-imidazol-5-yl)pyridin-2-amine

6-fluoro-5-(1H-imidazol-5-yl)pyridin-2-amine (PubChem CID 175935597) has the molecular formula C8H7FN4 and a molecular weight of 178.17 g/mol. Its IUPAC name is 6-fluoro-5-(1H-imidazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-5-(1H-imidazol-5-yl)pyridin-2-amine
PubChem CID175935597
Molecular FormulaC8H7FN4
Molecular Weight178.17 g/mol
Exact Mass178.07
IUPAC Name6-fluoro-5-(1H-imidazol-5-yl)pyridin-2-amine
SMILESNc1ccc(-c2cnc[nH]2)c(F)n1
InChIInChI=1S/C8H7FN4/c9-8-5(1-2-7(10)13-8)6-3-11-4-12-6/h1-4H,(H2,10,13)(H,11,12)
InChIKeyMEZSROFNBKZEIF-UHFFFAOYSA-N
XLogP1.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-(1H-imidazol-5-yl)pyridin-2-amine?
The IUPAC name of 6-fluoro-5-(1H-imidazol-5-yl)pyridin-2-amine (CID 175935597) is 6-fluoro-5-(1H-imidazol-5-yl)pyridin-2-amine.
What is the SMILES notation for 6-fluoro-5-(1H-imidazol-5-yl)pyridin-2-amine?
The canonical SMILES for 6-fluoro-5-(1H-imidazol-5-yl)pyridin-2-amine is Nc1ccc(-c2cnc[nH]2)c(F)n1.
What is the InChIKey of 6-fluoro-5-(1H-imidazol-5-yl)pyridin-2-amine?
The InChIKey is MEZSROFNBKZEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4/c9-8-5(1-2-7(10)13-8)6-3-11-4-12-6/h1-4H,(H2,10,13)(H,11,12).
What are the key properties of 6-fluoro-5-(1H-imidazol-5-yl)pyridin-2-amine?
6-fluoro-5-(1H-imidazol-5-yl)pyridin-2-amine has a molecular weight of 178.17 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-(1H-imidazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 175935597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).