3-(difluoromethoxy)-5-[(3,4,5-trifluorophenyl)methyl]pyridine

C13H8F5NO — CID 175294384

IUPAC3-(difluoromethoxy)-5-[(3,4,5-trifluorophenyl)methyl]pyridine
SMILESFc1cc(Cc2cncc(OC(F)F)c2)cc(F)c1F
InChIInChI=1S/C13H8F5NO/c14-10-3-7(4-11(15)12(10)16)1-8-2-9(6-19-5-8)20-13(17)18/h2-6,13H,1H2
InChIKeyCVWZPNNSUCGYLW-UHFFFAOYSA-N
MW289.20 g/mol
LogP3.69
Rot. Bonds4

About 3-(difluoromethoxy)-5-[(3,4,5-trifluorophenyl)methyl]pyridine

3-(difluoromethoxy)-5-[(3,4,5-trifluorophenyl)methyl]pyridine (PubChem CID 175294384) has the molecular formula C13H8F5NO and a molecular weight of 289.20 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-[(3,4,5-trifluorophenyl)methyl]pyridine.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-[(3,4,5-trifluorophenyl)methyl]pyridine
PubChem CID175294384
Molecular FormulaC13H8F5NO
Molecular Weight289.20 g/mol
Exact Mass289.05
IUPAC Name3-(difluoromethoxy)-5-[(3,4,5-trifluorophenyl)methyl]pyridine
SMILESFc1cc(Cc2cncc(OC(F)F)c2)cc(F)c1F
InChIInChI=1S/C13H8F5NO/c14-10-3-7(4-11(15)12(10)16)1-8-2-9(6-19-5-8)20-13(17)18/h2-6,13H,1H2
InChIKeyCVWZPNNSUCGYLW-UHFFFAOYSA-N
XLogP3.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-5-[(3,4,5-trifluorophenyl)methyl]pyridine
CID 175294504
5-(difluoromethoxy)-2,3-difluoropyridine
CID 130925292
5-(difluoromethoxy)pyridine-3-carbonitrile
CID 46311553
3-(difluoromethoxy)-5-pentan-2-ylpyridine
CID 166854522
3-(difluoromethoxy)-5-pyridin-3-ylpyridine
CID 46316889
5-(difluoromethoxy)-2,3-dimethylpyridine
CID 130882921
6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 166012081
5-(difluoromethoxy)-3-methyl-2-methylsulfanylpyridine
CID 68857309
3-(chloromethyl)-5-(3,4,5-trifluorophenyl)pyridine
CID 19079387
1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]ethanone
CID 178156503
1-[4-(difluoromethoxy)phenyl]-N-[(3,4-difluorophenyl)methyl]methanamine
CID 28678045
3-(chloromethyl)-5-(3-fluoro-4-methylphenoxy)pyridine
CID 107169727

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-[(3,4,5-trifluorophenyl)methyl]pyridine?
The IUPAC name of 3-(difluoromethoxy)-5-[(3,4,5-trifluorophenyl)methyl]pyridine (CID 175294384) is 3-(difluoromethoxy)-5-[(3,4,5-trifluorophenyl)methyl]pyridine.
What is the SMILES notation for 3-(difluoromethoxy)-5-[(3,4,5-trifluorophenyl)methyl]pyridine?
The canonical SMILES for 3-(difluoromethoxy)-5-[(3,4,5-trifluorophenyl)methyl]pyridine is Fc1cc(Cc2cncc(OC(F)F)c2)cc(F)c1F.
What is the InChIKey of 3-(difluoromethoxy)-5-[(3,4,5-trifluorophenyl)methyl]pyridine?
The InChIKey is CVWZPNNSUCGYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F5NO/c14-10-3-7(4-11(15)12(10)16)1-8-2-9(6-19-5-8)20-13(17)18/h2-6,13H,1H2.
What are the key properties of 3-(difluoromethoxy)-5-[(3,4,5-trifluorophenyl)methyl]pyridine?
3-(difluoromethoxy)-5-[(3,4,5-trifluorophenyl)methyl]pyridine has a molecular weight of 289.20 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-[(3,4,5-trifluorophenyl)methyl]pyridine is sourced from PubChem (CID 175294384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).