2,5-difluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine

C10H13F2NO — CID 10888943

IUPAC2,5-difluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine
SMILESCc1c(F)ncc(F)c1OC(C)(C)C
InChIInChI=1S/C10H13F2NO/c1-6-8(14-10(2,3)4)7(11)5-13-9(6)12/h5H,1-4H3
InChIKeyHJSRNFGVNHDQLN-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.85
Rot. Bonds1

About 2,5-difluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine

2,5-difluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine (PubChem CID 10888943) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2,5-difluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine.

Molecular Properties

Compound Name2,5-difluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine
PubChem CID10888943
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2,5-difluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine
SMILESCc1c(F)ncc(F)c1OC(C)(C)C
InChIInChI=1S/C10H13F2NO/c1-6-8(14-10(2,3)4)7(11)5-13-9(6)12/h5H,1-4H3
InChIKeyHJSRNFGVNHDQLN-UHFFFAOYSA-N
XLogP2.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.85
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 2,5-difluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine?
The IUPAC name of 2,5-difluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine (CID 10888943) is 2,5-difluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine.
What is the SMILES notation for 2,5-difluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine?
The canonical SMILES for 2,5-difluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine is Cc1c(F)ncc(F)c1OC(C)(C)C.
What is the InChIKey of 2,5-difluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine?
The InChIKey is HJSRNFGVNHDQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-6-8(14-10(2,3)4)7(11)5-13-9(6)12/h5H,1-4H3.
What are the key properties of 2,5-difluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine?
2,5-difluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine has a molecular weight of 201.22 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine is sourced from PubChem (CID 10888943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).