2,6-difluoro-3-methyl-5-(trifluoromethoxy)pyridine

C7H4F5NO — CID 130094266

IUPAC2,6-difluoro-3-methyl-5-(trifluoromethoxy)pyridine
SMILESCc1cc(OC(F)(F)F)c(F)nc1F
InChIInChI=1S/C7H4F5NO/c1-3-2-4(14-7(10,11)12)6(9)13-5(3)8/h2H,1H3
InChIKeyHWYHEJAYVFTINH-UHFFFAOYSA-N
MW213.10 g/mol
LogP2.57
Rot. Bonds1

About 2,6-difluoro-3-methyl-5-(trifluoromethoxy)pyridine

2,6-difluoro-3-methyl-5-(trifluoromethoxy)pyridine (PubChem CID 130094266) has the molecular formula C7H4F5NO and a molecular weight of 213.10 g/mol. Its IUPAC name is 2,6-difluoro-3-methyl-5-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2,6-difluoro-3-methyl-5-(trifluoromethoxy)pyridine
PubChem CID130094266
Molecular FormulaC7H4F5NO
Molecular Weight213.10 g/mol
Exact Mass213.02
IUPAC Name2,6-difluoro-3-methyl-5-(trifluoromethoxy)pyridine
SMILESCc1cc(OC(F)(F)F)c(F)nc1F
InChIInChI=1S/C7H4F5NO/c1-3-2-4(14-7(10,11)12)6(9)13-5(3)8/h2H,1H3
InChIKeyHWYHEJAYVFTINH-UHFFFAOYSA-N
XLogP2.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.10
LogP ≤ 52.57
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

2,3-dibromo-6-fluoro-5-(trifluoromethoxy)pyridine
CID 118820838
2-bromo-3,6-difluoro-5-(trifluoromethoxy)pyridine
CID 130094144
5,6-dimethyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096333
ethyl 6-fluoro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134680125
6-(aminomethyl)-5-methyl-3-(trifluoromethoxy)pyridin-2-amine
CID 119023621
2-bromo-5-fluoro-6-methyl-3-(trifluoromethoxy)pyridine
CID 119009127
6-(bromomethyl)-3-methyl-5-(trifluoromethoxy)pyridin-2-amine
CID 119004935
2-fluoro-5-methyl-4-(trifluoromethoxy)aniline
CID 130926046
2,6-difluoro-5-methylpyridine-3-carboxylic acid
CID 21303212
5-methoxy-3-methyl-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134665042
6-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134676179
1-methyl-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 170999451

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methyl-5-(trifluoromethoxy)pyridine?
The IUPAC name of 2,6-difluoro-3-methyl-5-(trifluoromethoxy)pyridine (CID 130094266) is 2,6-difluoro-3-methyl-5-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2,6-difluoro-3-methyl-5-(trifluoromethoxy)pyridine?
The canonical SMILES for 2,6-difluoro-3-methyl-5-(trifluoromethoxy)pyridine is Cc1cc(OC(F)(F)F)c(F)nc1F.
What is the InChIKey of 2,6-difluoro-3-methyl-5-(trifluoromethoxy)pyridine?
The InChIKey is HWYHEJAYVFTINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5NO/c1-3-2-4(14-7(10,11)12)6(9)13-5(3)8/h2H,1H3.
What are the key properties of 2,6-difluoro-3-methyl-5-(trifluoromethoxy)pyridine?
2,6-difluoro-3-methyl-5-(trifluoromethoxy)pyridine has a molecular weight of 213.10 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-methyl-5-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130094266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).