2-(1,1-difluoro-2-imidazol-1-ylethyl)-5-phenylpyridine

C16H13F2N3 — CID 141397885

IUPAC2-(1,1-difluoro-2-imidazol-1-ylethyl)-5-phenylpyridine
SMILESFC(F)(Cn1ccnc1)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C16H13F2N3/c17-16(18,11-21-9-8-19-12-21)15-7-6-14(10-20-15)13-4-2-1-3-5-13/h1-10,12H,11H2
InChIKeyQIGWSVRHZXYYFW-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.74
Rot. Bonds4

About 2-(1,1-difluoro-2-imidazol-1-ylethyl)-5-phenylpyridine

2-(1,1-difluoro-2-imidazol-1-ylethyl)-5-phenylpyridine (PubChem CID 141397885) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(1,1-difluoro-2-imidazol-1-ylethyl)-5-phenylpyridine.

Molecular Properties

Compound Name2-(1,1-difluoro-2-imidazol-1-ylethyl)-5-phenylpyridine
PubChem CID141397885
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-(1,1-difluoro-2-imidazol-1-ylethyl)-5-phenylpyridine
SMILESFC(F)(Cn1ccnc1)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C16H13F2N3/c17-16(18,11-21-9-8-19-12-21)15-7-6-14(10-20-15)13-4-2-1-3-5-13/h1-10,12H,11H2
InChIKeyQIGWSVRHZXYYFW-UHFFFAOYSA-N
XLogP3.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoro-2-imidazol-1-ylethyl)-5-phenylpyridine?
The IUPAC name of 2-(1,1-difluoro-2-imidazol-1-ylethyl)-5-phenylpyridine (CID 141397885) is 2-(1,1-difluoro-2-imidazol-1-ylethyl)-5-phenylpyridine.
What is the SMILES notation for 2-(1,1-difluoro-2-imidazol-1-ylethyl)-5-phenylpyridine?
The canonical SMILES for 2-(1,1-difluoro-2-imidazol-1-ylethyl)-5-phenylpyridine is FC(F)(Cn1ccnc1)c1ccc(-c2ccccc2)cn1.
What is the InChIKey of 2-(1,1-difluoro-2-imidazol-1-ylethyl)-5-phenylpyridine?
The InChIKey is QIGWSVRHZXYYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c17-16(18,11-21-9-8-19-12-21)15-7-6-14(10-20-15)13-4-2-1-3-5-13/h1-10,12H,11H2.
What are the key properties of 2-(1,1-difluoro-2-imidazol-1-ylethyl)-5-phenylpyridine?
2-(1,1-difluoro-2-imidazol-1-ylethyl)-5-phenylpyridine has a molecular weight of 285.30 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-2-imidazol-1-ylethyl)-5-phenylpyridine is sourced from PubChem (CID 141397885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).