3,6-difluoro-2-methyl-4-propan-2-ylpyridine

C9H11F2N — CID 159755748

IUPAC3,6-difluoro-2-methyl-4-propan-2-ylpyridine
SMILESCc1nc(F)cc(C(C)C)c1F
InChIInChI=1S/C9H11F2N/c1-5(2)7-4-8(10)12-6(3)9(7)11/h4-5H,1-3H3
InChIKeyLPYHATMPSGIWMK-UHFFFAOYSA-N
MW171.19 g/mol
LogP2.79
Rot. Bonds1

About 3,6-difluoro-2-methyl-4-propan-2-ylpyridine

3,6-difluoro-2-methyl-4-propan-2-ylpyridine (PubChem CID 159755748) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is 3,6-difluoro-2-methyl-4-propan-2-ylpyridine.

Molecular Properties

Compound Name3,6-difluoro-2-methyl-4-propan-2-ylpyridine
PubChem CID159755748
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC Name3,6-difluoro-2-methyl-4-propan-2-ylpyridine
SMILESCc1nc(F)cc(C(C)C)c1F
InChIInChI=1S/C9H11F2N/c1-5(2)7-4-8(10)12-6(3)9(7)11/h4-5H,1-3H3
InChIKeyLPYHATMPSGIWMK-UHFFFAOYSA-N
XLogP2.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3,6-difluoro-2-methyl-4-propan-2-ylpyridine?
The IUPAC name of 3,6-difluoro-2-methyl-4-propan-2-ylpyridine (CID 159755748) is 3,6-difluoro-2-methyl-4-propan-2-ylpyridine.
What is the SMILES notation for 3,6-difluoro-2-methyl-4-propan-2-ylpyridine?
The canonical SMILES for 3,6-difluoro-2-methyl-4-propan-2-ylpyridine is Cc1nc(F)cc(C(C)C)c1F.
What is the InChIKey of 3,6-difluoro-2-methyl-4-propan-2-ylpyridine?
The InChIKey is LPYHATMPSGIWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N/c1-5(2)7-4-8(10)12-6(3)9(7)11/h4-5H,1-3H3.
What are the key properties of 3,6-difluoro-2-methyl-4-propan-2-ylpyridine?
3,6-difluoro-2-methyl-4-propan-2-ylpyridine has a molecular weight of 171.19 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-difluoro-2-methyl-4-propan-2-ylpyridine is sourced from PubChem (CID 159755748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).