3,6-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine

C10H13F2NO — CID 10608131

IUPAC3,6-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine
SMILESCc1nc(F)cc(OC(C)(C)C)c1F
InChIInChI=1S/C10H13F2NO/c1-6-9(12)7(5-8(11)13-6)14-10(2,3)4/h5H,1-4H3
InChIKeyPNCSQGGYASYHBC-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.85
Rot. Bonds1

About 3,6-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine

3,6-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine (PubChem CID 10608131) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 3,6-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine.

Molecular Properties

Compound Name3,6-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine
PubChem CID10608131
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3,6-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine
SMILESCc1nc(F)cc(OC(C)(C)C)c1F
InChIInChI=1S/C10H13F2NO/c1-6-9(12)7(5-8(11)13-6)14-10(2,3)4/h5H,1-4H3
InChIKeyPNCSQGGYASYHBC-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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Related Compounds

3,6-difluoro-2-methyl-4-propan-2-ylpyridine
CID 159755748
3-chloro-6-fluoro-2,4-dimethylpyridine
CID 143020337
4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene
CID 53484257
3-chloro-6-fluoro-2,4-dimethylpyridine;ethane
CID 143020336
6-tert-butyl-3-fluoro-2,4-dimethylpyridine
CID 126493101
1,2,4,5-tetrafluoro-3-[(2-methylpropan-2-yl)oxy]benzene
CID 12615516
2,4,6-tris[(2-methylpropan-2-yl)oxy]pyrimidine
CID 18761956
1-ethenyl-2,3-difluoro-4-[(2-methylpropan-2-yl)oxy]benzene
CID 13007517
3-fluoro-2-methyl-6-(trifluoromethoxy)pyridin-4-amine
CID 118806561
2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene
CID 118333609
1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxy]benzene
CID 101467707
2-fluoro-3-[(2-methylpropan-2-yl)oxy]pyridine
CID 138743961

Frequently Asked Questions

What is the IUPAC name of 3,6-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine?
The IUPAC name of 3,6-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine (CID 10608131) is 3,6-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine.
What is the SMILES notation for 3,6-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine?
The canonical SMILES for 3,6-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine is Cc1nc(F)cc(OC(C)(C)C)c1F.
What is the InChIKey of 3,6-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine?
The InChIKey is PNCSQGGYASYHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-6-9(12)7(5-8(11)13-6)14-10(2,3)4/h5H,1-4H3.
What are the key properties of 3,6-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine?
3,6-difluoro-2-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 3,6-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine is sourced from PubChem (CID 10608131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).