3,5-dichloro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]pyridine

C13H7Cl2F4NO — CID 57389073

IUPAC3,5-dichloro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]pyridine
SMILESFC(c1ccc(OC(F)(F)F)cc1)c1c(Cl)cncc1Cl
InChIInChI=1S/C13H7Cl2F4NO/c14-9-5-20-6-10(15)11(9)12(16)7-1-3-8(4-2-7)21-13(17,18)19/h1-6,12H
InChIKeyAHEHVTBFCYUMQR-UHFFFAOYSA-N
MW340.10 g/mol
LogP5.35
Rot. Bonds3

About 3,5-dichloro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]pyridine

3,5-dichloro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]pyridine (PubChem CID 57389073) has the molecular formula C13H7Cl2F4NO and a molecular weight of 340.10 g/mol. Its IUPAC name is 3,5-dichloro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]pyridine.

Molecular Properties

Compound Name3,5-dichloro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]pyridine
PubChem CID57389073
Molecular FormulaC13H7Cl2F4NO
Molecular Weight340.10 g/mol
Exact Mass338.98
IUPAC Name3,5-dichloro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]pyridine
SMILESFC(c1ccc(OC(F)(F)F)cc1)c1c(Cl)cncc1Cl
InChIInChI=1S/C13H7Cl2F4NO/c14-9-5-20-6-10(15)11(9)12(16)7-1-3-8(4-2-7)21-13(17,18)19/h1-6,12H
InChIKeyAHEHVTBFCYUMQR-UHFFFAOYSA-N
XLogP5.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.10
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]pyridine?
The IUPAC name of 3,5-dichloro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]pyridine (CID 57389073) is 3,5-dichloro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]pyridine.
What is the SMILES notation for 3,5-dichloro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]pyridine?
The canonical SMILES for 3,5-dichloro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]pyridine is FC(c1ccc(OC(F)(F)F)cc1)c1c(Cl)cncc1Cl.
What is the InChIKey of 3,5-dichloro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]pyridine?
The InChIKey is AHEHVTBFCYUMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F4NO/c14-9-5-20-6-10(15)11(9)12(16)7-1-3-8(4-2-7)21-13(17,18)19/h1-6,12H.
What are the key properties of 3,5-dichloro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]pyridine?
3,5-dichloro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]pyridine has a molecular weight of 340.10 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[fluoro-[4-(trifluoromethoxy)phenyl]methyl]pyridine is sourced from PubChem (CID 57389073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).