ethane;2-fluoro-5-[3-methyl-4-(4-propan-2-yl-3-pyridinyl)phenyl]pyridine

C22H25FN2 — CID 155583704

IUPACethane;2-fluoro-5-[3-methyl-4-(4-propan-2-yl-3-pyridinyl)phenyl]pyridine
SMILESCC.Cc1cc(-c2ccc(F)nc2)ccc1-c1cnccc1C(C)C
InChIInChI=1S/C20H19FN2.C2H6/c1-13(2)17-8-9-22-12-19(17)18-6-4-15(10-14(18)3)16-5-7-20(21)23-11-16;1-2/h4-13H,1-3H3;1-2H3
InChIKeyWIXFOVRMGLVMSJ-UHFFFAOYSA-N
MW336.45 g/mol
LogP6.41
Rot. Bonds3

About ethane;2-fluoro-5-[3-methyl-4-(4-propan-2-yl-3-pyridinyl)phenyl]pyridine

ethane;2-fluoro-5-[3-methyl-4-(4-propan-2-yl-3-pyridinyl)phenyl]pyridine (PubChem CID 155583704) has the molecular formula C22H25FN2 and a molecular weight of 336.45 g/mol. Its IUPAC name is ethane;2-fluoro-5-[3-methyl-4-(4-propan-2-yl-3-pyridinyl)phenyl]pyridine.

Molecular Properties

Compound Nameethane;2-fluoro-5-[3-methyl-4-(4-propan-2-yl-3-pyridinyl)phenyl]pyridine
PubChem CID155583704
Molecular FormulaC22H25FN2
Molecular Weight336.45 g/mol
Exact Mass336.20
IUPAC Nameethane;2-fluoro-5-[3-methyl-4-(4-propan-2-yl-3-pyridinyl)phenyl]pyridine
SMILESCC.Cc1cc(-c2ccc(F)nc2)ccc1-c1cnccc1C(C)C
InChIInChI=1S/C20H19FN2.C2H6/c1-13(2)17-8-9-22-12-19(17)18-6-4-15(10-14(18)3)16-5-7-20(21)23-11-16;1-2/h4-13H,1-3H3;1-2H3
InChIKeyWIXFOVRMGLVMSJ-UHFFFAOYSA-N
XLogP6.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.45
LogP ≤ 56.41
H-Bond Donors ≤ 50
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 ethane;2-fluoro-5-[3-methyl-4-(4-propan-2-yl-3-pyridinyl)phenyl]pyridine?
The IUPAC name of ethane;2-fluoro-5-[3-methyl-4-(4-propan-2-yl-3-pyridinyl)phenyl]pyridine (CID 155583704) is ethane;2-fluoro-5-[3-methyl-4-(4-propan-2-yl-3-pyridinyl)phenyl]pyridine.
What is the SMILES notation for ethane;2-fluoro-5-[3-methyl-4-(4-propan-2-yl-3-pyridinyl)phenyl]pyridine?
The canonical SMILES for ethane;2-fluoro-5-[3-methyl-4-(4-propan-2-yl-3-pyridinyl)phenyl]pyridine is CC.Cc1cc(-c2ccc(F)nc2)ccc1-c1cnccc1C(C)C.
What is the InChIKey of ethane;2-fluoro-5-[3-methyl-4-(4-propan-2-yl-3-pyridinyl)phenyl]pyridine?
The InChIKey is WIXFOVRMGLVMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2.C2H6/c1-13(2)17-8-9-22-12-19(17)18-6-4-15(10-14(18)3)16-5-7-20(21)23-11-16;1-2/h4-13H,1-3H3;1-2H3.
What are the key properties of ethane;2-fluoro-5-[3-methyl-4-(4-propan-2-yl-3-pyridinyl)phenyl]pyridine?
ethane;2-fluoro-5-[3-methyl-4-(4-propan-2-yl-3-pyridinyl)phenyl]pyridine has a molecular weight of 336.45 g/mol, XLogP of 6.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-5-[3-methyl-4-(4-propan-2-yl-3-pyridinyl)phenyl]pyridine is sourced from PubChem (CID 155583704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).