5-chloro-2-[[3-fluoro-5-(1,2,2-trifluoroethoxy)phenyl]methyl]pyridine

C14H10ClF4NO — CID 143473701

IUPAC5-chloro-2-[[3-fluoro-5-(1,2,2-trifluoroethoxy)phenyl]methyl]pyridine
SMILESFc1cc(Cc2ccc(Cl)cn2)cc(OC(F)C(F)F)c1
InChIInChI=1S/C14H10ClF4NO/c15-9-1-2-11(20-7-9)4-8-3-10(16)6-12(5-8)21-14(19)13(17)18/h1-3,5-7,13-14H,4H2
InChIKeyXOJHMPPHYAZNBB-UHFFFAOYSA-N
MW319.69 g/mol
LogP4.40
Rot. Bonds5

About 5-chloro-2-[[3-fluoro-5-(1,2,2-trifluoroethoxy)phenyl]methyl]pyridine

5-chloro-2-[[3-fluoro-5-(1,2,2-trifluoroethoxy)phenyl]methyl]pyridine (PubChem CID 143473701) has the molecular formula C14H10ClF4NO and a molecular weight of 319.69 g/mol. Its IUPAC name is 5-chloro-2-[[3-fluoro-5-(1,2,2-trifluoroethoxy)phenyl]methyl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[[3-fluoro-5-(1,2,2-trifluoroethoxy)phenyl]methyl]pyridine
PubChem CID143473701
Molecular FormulaC14H10ClF4NO
Molecular Weight319.69 g/mol
Exact Mass319.04
IUPAC Name5-chloro-2-[[3-fluoro-5-(1,2,2-trifluoroethoxy)phenyl]methyl]pyridine
SMILESFc1cc(Cc2ccc(Cl)cn2)cc(OC(F)C(F)F)c1
InChIInChI=1S/C14H10ClF4NO/c15-9-1-2-11(20-7-9)4-8-3-10(16)6-12(5-8)21-14(19)13(17)18/h1-3,5-7,13-14H,4H2
InChIKeyXOJHMPPHYAZNBB-UHFFFAOYSA-N
XLogP4.40
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.69
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[3-fluoro-5-(1,2,2-trifluoroethoxy)phenyl]methyl]pyridine?
The IUPAC name of 5-chloro-2-[[3-fluoro-5-(1,2,2-trifluoroethoxy)phenyl]methyl]pyridine (CID 143473701) is 5-chloro-2-[[3-fluoro-5-(1,2,2-trifluoroethoxy)phenyl]methyl]pyridine.
What is the SMILES notation for 5-chloro-2-[[3-fluoro-5-(1,2,2-trifluoroethoxy)phenyl]methyl]pyridine?
The canonical SMILES for 5-chloro-2-[[3-fluoro-5-(1,2,2-trifluoroethoxy)phenyl]methyl]pyridine is Fc1cc(Cc2ccc(Cl)cn2)cc(OC(F)C(F)F)c1.
What is the InChIKey of 5-chloro-2-[[3-fluoro-5-(1,2,2-trifluoroethoxy)phenyl]methyl]pyridine?
The InChIKey is XOJHMPPHYAZNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4NO/c15-9-1-2-11(20-7-9)4-8-3-10(16)6-12(5-8)21-14(19)13(17)18/h1-3,5-7,13-14H,4H2.
What are the key properties of 5-chloro-2-[[3-fluoro-5-(1,2,2-trifluoroethoxy)phenyl]methyl]pyridine?
5-chloro-2-[[3-fluoro-5-(1,2,2-trifluoroethoxy)phenyl]methyl]pyridine has a molecular weight of 319.69 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[3-fluoro-5-(1,2,2-trifluoroethoxy)phenyl]methyl]pyridine is sourced from PubChem (CID 143473701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).