2-chloro-3-[2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyridine

C14H5ClF9N — CID 173054579

IUPAC2-chloro-3-[2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyridine
SMILESFc1cc(F)c(-c2cccnc2Cl)c(C(F)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C14H5ClF9N/c15-11-7(2-1-3-25-11)10-8(4-6(16)5-9(10)17)12(18,13(19,20)21)14(22,23)24/h1-5H
InChIKeyIPAUXPSIVKIJIM-UHFFFAOYSA-N
MW393.64 g/mol
LogP5.97
Rot. Bonds2

About 2-chloro-3-[2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyridine

2-chloro-3-[2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyridine (PubChem CID 173054579) has the molecular formula C14H5ClF9N and a molecular weight of 393.64 g/mol. Its IUPAC name is 2-chloro-3-[2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyridine
PubChem CID173054579
Molecular FormulaC14H5ClF9N
Molecular Weight393.64 g/mol
Exact Mass393.00
IUPAC Name2-chloro-3-[2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyridine
SMILESFc1cc(F)c(-c2cccnc2Cl)c(C(F)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C14H5ClF9N/c15-11-7(2-1-3-25-11)10-8(4-6(16)5-9(10)17)12(18,13(19,20)21)14(22,23)24/h1-5H
InChIKeyIPAUXPSIVKIJIM-UHFFFAOYSA-N
XLogP5.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.64
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyridine?
The IUPAC name of 2-chloro-3-[2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyridine (CID 173054579) is 2-chloro-3-[2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyridine.
What is the SMILES notation for 2-chloro-3-[2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyridine?
The canonical SMILES for 2-chloro-3-[2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyridine is Fc1cc(F)c(-c2cccnc2Cl)c(C(F)(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 2-chloro-3-[2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyridine?
The InChIKey is IPAUXPSIVKIJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5ClF9N/c15-11-7(2-1-3-25-11)10-8(4-6(16)5-9(10)17)12(18,13(19,20)21)14(22,23)24/h1-5H.
What are the key properties of 2-chloro-3-[2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyridine?
2-chloro-3-[2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyridine has a molecular weight of 393.64 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyridine is sourced from PubChem (CID 173054579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).