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

C7H4ClF4NO — CID 118800275

IUPAC4-chloro-3-fluoro-5-methyl-2-(trifluoromethoxy)pyridine
SMILESCc1cnc(OC(F)(F)F)c(F)c1Cl
InChIInChI=1S/C7H4ClF4NO/c1-3-2-13-6(5(9)4(3)8)14-7(10,11)12/h2H,1H3
InChIKeyUTPMZCIBJGDFSR-UHFFFAOYSA-N
MW229.56 g/mol
LogP3.08
Rot. Bonds1

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

4-chloro-3-fluoro-5-methyl-2-(trifluoromethoxy)pyridine (PubChem CID 118800275) has the molecular formula C7H4ClF4NO and a molecular weight of 229.56 g/mol. Its IUPAC name is 4-chloro-3-fluoro-5-methyl-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-chloro-3-fluoro-5-methyl-2-(trifluoromethoxy)pyridine
PubChem CID118800275
Molecular FormulaC7H4ClF4NO
Molecular Weight229.56 g/mol
Exact Mass228.99
IUPAC Name4-chloro-3-fluoro-5-methyl-2-(trifluoromethoxy)pyridine
SMILESCc1cnc(OC(F)(F)F)c(F)c1Cl
InChIInChI=1S/C7H4ClF4NO/c1-3-2-13-6(5(9)4(3)8)14-7(10,11)12/h2H,1H3
InChIKeyUTPMZCIBJGDFSR-UHFFFAOYSA-N
XLogP3.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.56
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(fluoromethyl)-3-iodo-5-methyl-2-(trifluoromethoxy)pyridine
CID 118840248
2,3-difluoro-5-methyl-4-(trifluoromethoxy)pyridine
CID 130094249
[4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112707
5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine
CID 130093140
4,5-difluoro-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096108
2-chloro-3,5-dimethyl-6-(trifluoromethoxy)pyridine
CID 130984923
3-chloro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 175669606
6-bromo-4-chloro-3-methyl-8-(trifluoromethoxy)quinoline
CID 171373322
3-(chloromethyl)-5-methyl-4-nitro-2-(trifluoromethoxy)pyridine
CID 134662232
[4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131570412
5-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)pyridin-3-amine
CID 133086175
5-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 130111832

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-5-methyl-2-(trifluoromethoxy)pyridine?
The IUPAC name of 4-chloro-3-fluoro-5-methyl-2-(trifluoromethoxy)pyridine (CID 118800275) is 4-chloro-3-fluoro-5-methyl-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-chloro-3-fluoro-5-methyl-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-chloro-3-fluoro-5-methyl-2-(trifluoromethoxy)pyridine is Cc1cnc(OC(F)(F)F)c(F)c1Cl.
What is the InChIKey of 4-chloro-3-fluoro-5-methyl-2-(trifluoromethoxy)pyridine?
The InChIKey is UTPMZCIBJGDFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF4NO/c1-3-2-13-6(5(9)4(3)8)14-7(10,11)12/h2H,1H3.
What are the key properties of 4-chloro-3-fluoro-5-methyl-2-(trifluoromethoxy)pyridine?
4-chloro-3-fluoro-5-methyl-2-(trifluoromethoxy)pyridine has a molecular weight of 229.56 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-5-methyl-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118800275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).