5-fluoro-2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine

C13H7F4N3 — CID 166873266

IUPAC5-fluoro-2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine
SMILESFc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2n1
InChIInChI=1S/C13H7F4N3/c14-10-6-5-9-12(19-10)20-11(18-9)7-1-3-8(4-2-7)13(15,16)17/h1-6H,(H,18,19,20)
InChIKeyNOVKMQRHRSSICN-UHFFFAOYSA-N
MW281.21 g/mol
LogP3.78
Rot. Bonds1

About 5-fluoro-2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine

5-fluoro-2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 166873266) has the molecular formula C13H7F4N3 and a molecular weight of 281.21 g/mol. Its IUPAC name is 5-fluoro-2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-fluoro-2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine
PubChem CID166873266
Molecular FormulaC13H7F4N3
Molecular Weight281.21 g/mol
Exact Mass281.06
IUPAC Name5-fluoro-2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine
SMILESFc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2n1
InChIInChI=1S/C13H7F4N3/c14-10-6-5-9-12(19-10)20-11(18-9)7-1-3-8(4-2-7)13(15,16)17/h1-6H,(H,18,19,20)
InChIKeyNOVKMQRHRSSICN-UHFFFAOYSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.21
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-fluoro-2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-fluoro-2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine (CID 166873266) is 5-fluoro-2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-fluoro-2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-fluoro-2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine is Fc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2n1.
What is the InChIKey of 5-fluoro-2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is NOVKMQRHRSSICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4N3/c14-10-6-5-9-12(19-10)20-11(18-9)7-1-3-8(4-2-7)13(15,16)17/h1-6H,(H,18,19,20).
What are the key properties of 5-fluoro-2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine?
5-fluoro-2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 281.21 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 166873266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).