3-(4-butan-2-yl-2-pyridinyl)-2,6-difluoropyridine

C14H14F2N2 — CID 58162175

IUPAC3-(4-butan-2-yl-2-pyridinyl)-2,6-difluoropyridine
SMILESCCC(C)c1ccnc(-c2ccc(F)nc2F)c1
InChIInChI=1S/C14H14F2N2/c1-3-9(2)10-6-7-17-12(8-10)11-4-5-13(15)18-14(11)16/h4-9H,3H2,1-2H3
InChIKeyCLENCGQCIIRLJH-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.94
Rot. Bonds3

About 3-(4-butan-2-yl-2-pyridinyl)-2,6-difluoropyridine

3-(4-butan-2-yl-2-pyridinyl)-2,6-difluoropyridine (PubChem CID 58162175) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(4-butan-2-yl-2-pyridinyl)-2,6-difluoropyridine.

Molecular Properties

Compound Name3-(4-butan-2-yl-2-pyridinyl)-2,6-difluoropyridine
PubChem CID58162175
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC Name3-(4-butan-2-yl-2-pyridinyl)-2,6-difluoropyridine
SMILESCCC(C)c1ccnc(-c2ccc(F)nc2F)c1
InChIInChI=1S/C14H14F2N2/c1-3-9(2)10-6-7-17-12(8-10)11-4-5-13(15)18-14(11)16/h4-9H,3H2,1-2H3
InChIKeyCLENCGQCIIRLJH-UHFFFAOYSA-N
XLogP3.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.94
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 3-(4-butan-2-yl-2-pyridinyl)-2,6-difluoropyridine?
The IUPAC name of 3-(4-butan-2-yl-2-pyridinyl)-2,6-difluoropyridine (CID 58162175) is 3-(4-butan-2-yl-2-pyridinyl)-2,6-difluoropyridine.
What is the SMILES notation for 3-(4-butan-2-yl-2-pyridinyl)-2,6-difluoropyridine?
The canonical SMILES for 3-(4-butan-2-yl-2-pyridinyl)-2,6-difluoropyridine is CCC(C)c1ccnc(-c2ccc(F)nc2F)c1.
What is the InChIKey of 3-(4-butan-2-yl-2-pyridinyl)-2,6-difluoropyridine?
The InChIKey is CLENCGQCIIRLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c1-3-9(2)10-6-7-17-12(8-10)11-4-5-13(15)18-14(11)16/h4-9H,3H2,1-2H3.
What are the key properties of 3-(4-butan-2-yl-2-pyridinyl)-2,6-difluoropyridine?
3-(4-butan-2-yl-2-pyridinyl)-2,6-difluoropyridine has a molecular weight of 248.28 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-yl-2-pyridinyl)-2,6-difluoropyridine is sourced from PubChem (CID 58162175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).