2,3-difluoro-5-methyl-4-(trifluoromethoxy)pyridine

C7H4F5NO — CID 130094249

IUPAC2,3-difluoro-5-methyl-4-(trifluoromethoxy)pyridine
SMILESCc1cnc(F)c(F)c1OC(F)(F)F
InChIInChI=1S/C7H4F5NO/c1-3-2-13-6(9)4(8)5(3)14-7(10,11)12/h2H,1H3
InChIKeyFSPQVWUMHVOOMZ-UHFFFAOYSA-N
MW213.10 g/mol
LogP2.57
Rot. Bonds1

About 2,3-difluoro-5-methyl-4-(trifluoromethoxy)pyridine

2,3-difluoro-5-methyl-4-(trifluoromethoxy)pyridine (PubChem CID 130094249) has the molecular formula C7H4F5NO and a molecular weight of 213.10 g/mol. Its IUPAC name is 2,3-difluoro-5-methyl-4-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2,3-difluoro-5-methyl-4-(trifluoromethoxy)pyridine
PubChem CID130094249
Molecular FormulaC7H4F5NO
Molecular Weight213.10 g/mol
Exact Mass213.02
IUPAC Name2,3-difluoro-5-methyl-4-(trifluoromethoxy)pyridine
SMILESCc1cnc(F)c(F)c1OC(F)(F)F
InChIInChI=1S/C7H4F5NO/c1-3-2-13-6(9)4(8)5(3)14-7(10,11)12/h2H,1H3
InChIKeyFSPQVWUMHVOOMZ-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

5-chloro-2-fluoro-3-methyl-4-(trifluoromethoxy)pyridine
CID 130951618
2-(difluoromethyl)-4-methoxy-5-methyl-3-(trifluoromethoxy)pyridine
CID 134670213
4-chloro-3-fluoro-5-methyl-2-(trifluoromethoxy)pyridine
CID 118800275
[4,6-difluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130094285
3-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134665085
2-chloro-5-fluoro-4-methyl-3-(trifluoromethoxy)pyridine
CID 119021842
4-bromo-6-fluoro-5-(trifluoromethoxy)pyridin-3-ol
CID 118811661
4-bromo-2-fluoro-5-iodo-3-(trifluoromethoxy)pyridine
CID 131096509
2-fluoro-1-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 146293235
1-chloro-3-fluoro-4-methyl-2-(trifluoromethoxy)benzene
CID 130775479
4-(difluoromethyl)-2-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine
CID 118812562
5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 130091836

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-methyl-4-(trifluoromethoxy)pyridine?
The IUPAC name of 2,3-difluoro-5-methyl-4-(trifluoromethoxy)pyridine (CID 130094249) is 2,3-difluoro-5-methyl-4-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2,3-difluoro-5-methyl-4-(trifluoromethoxy)pyridine?
The canonical SMILES for 2,3-difluoro-5-methyl-4-(trifluoromethoxy)pyridine is Cc1cnc(F)c(F)c1OC(F)(F)F.
What is the InChIKey of 2,3-difluoro-5-methyl-4-(trifluoromethoxy)pyridine?
The InChIKey is FSPQVWUMHVOOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5NO/c1-3-2-13-6(9)4(8)5(3)14-7(10,11)12/h2H,1H3.
What are the key properties of 2,3-difluoro-5-methyl-4-(trifluoromethoxy)pyridine?
2,3-difluoro-5-methyl-4-(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 2,3-difluoro-5-methyl-4-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130094249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).