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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Related Compounds

2,6-difluoro-3-(4-pentan-2-yl-2-pyridinyl)pyridine
CID 163423475
4-butan-2-yl-2-naphthalen-1-ylpyridine
CID 91469714
(4-butan-2-yl-2-pyridinyl)methanol
CID 155375839
2-(5-butan-2-yl-2-chlorophenyl)pyridine
CID 123184659
4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889
5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol
CID 66659271
6-butan-2-yl-N-methylquinolin-4-amine
CID 62190635
2-[3-(3-butan-2-ylphenyl)phenyl]pyridine
CID 140586014
1-(4-butan-2-yl-2-pyridinyl)-5-(2-methylpentan-3-yl)pyrrolo[3,2-b]pyridine
CID 58162076
4-butan-2-yl-2-fluoropyridine;2,4-diethylpyridine;ethane;4-propan-2-yl-1H-pyridin-2-one
CID 176699550
1-butan-2-yl-4-fluorobenzene
CID 11829648
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706

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).