2-(difluoromethyl)-4-fluoro-3-methyl-5-(trifluoromethoxy)pyridine

C8H5F6NO — CID 118826226

IUPAC2-(difluoromethyl)-4-fluoro-3-methyl-5-(trifluoromethoxy)pyridine
SMILESCc1c(C(F)F)ncc(OC(F)(F)F)c1F
InChIInChI=1S/C8H5F6NO/c1-3-5(9)4(16-8(12,13)14)2-15-6(3)7(10)11/h2,7H,1H3
InChIKeySIILAJNEFZPXFN-UHFFFAOYSA-N
MW245.12 g/mol
LogP3.37
Rot. Bonds2

About 2-(difluoromethyl)-4-fluoro-3-methyl-5-(trifluoromethoxy)pyridine

2-(difluoromethyl)-4-fluoro-3-methyl-5-(trifluoromethoxy)pyridine (PubChem CID 118826226) has the molecular formula C8H5F6NO and a molecular weight of 245.12 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-fluoro-3-methyl-5-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-4-fluoro-3-methyl-5-(trifluoromethoxy)pyridine
PubChem CID118826226
Molecular FormulaC8H5F6NO
Molecular Weight245.12 g/mol
Exact Mass245.03
IUPAC Name2-(difluoromethyl)-4-fluoro-3-methyl-5-(trifluoromethoxy)pyridine
SMILESCc1c(C(F)F)ncc(OC(F)(F)F)c1F
InChIInChI=1S/C8H5F6NO/c1-3-5(9)4(16-8(12,13)14)2-15-6(3)7(10)11/h2,7H,1H3
InChIKeySIILAJNEFZPXFN-UHFFFAOYSA-N
XLogP3.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(difluoromethyl)-4-fluoro-5-methoxy-3-methylpyridine
CID 130080514
2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118854325
4-bromo-2-(difluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 118811379
2-bromo-3,4-dimethyl-5-(trifluoromethoxy)pyridine
CID 130898141
3-bromo-4-fluoro-2-methyl-5-(trifluoromethoxy)pyridine
CID 131214212
[2-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118837393
[3-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118853765
4-chloro-2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridine
CID 118822429
ethyl 2-(difluoromethyl)-3-hydroxy-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134677712
2-(difluoromethyl)-3,4-difluoro-5-methoxypyridine
CID 130099673
2-(difluoromethyl)-4-methoxy-5-methyl-3-(trifluoromethoxy)pyridine
CID 134670213
[6-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666595

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-fluoro-3-methyl-5-(trifluoromethoxy)pyridine?
The IUPAC name of 2-(difluoromethyl)-4-fluoro-3-methyl-5-(trifluoromethoxy)pyridine (CID 118826226) is 2-(difluoromethyl)-4-fluoro-3-methyl-5-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-(difluoromethyl)-4-fluoro-3-methyl-5-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-(difluoromethyl)-4-fluoro-3-methyl-5-(trifluoromethoxy)pyridine is Cc1c(C(F)F)ncc(OC(F)(F)F)c1F.
What is the InChIKey of 2-(difluoromethyl)-4-fluoro-3-methyl-5-(trifluoromethoxy)pyridine?
The InChIKey is SIILAJNEFZPXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO/c1-3-5(9)4(16-8(12,13)14)2-15-6(3)7(10)11/h2,7H,1H3.
What are the key properties of 2-(difluoromethyl)-4-fluoro-3-methyl-5-(trifluoromethoxy)pyridine?
2-(difluoromethyl)-4-fluoro-3-methyl-5-(trifluoromethoxy)pyridine has a molecular weight of 245.12 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-fluoro-3-methyl-5-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118826226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).