2-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-fluoropyridine

C14H12BrClFNO — CID 115402237

IUPAC2-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-fluoropyridine
SMILESCC(C)c1cc(Br)ccc1Oc1ncc(Cl)cc1F
InChIInChI=1S/C14H12BrClFNO/c1-8(2)11-5-9(15)3-4-13(11)19-14-12(17)6-10(16)7-18-14/h3-8H,1-2H3
InChIKeyXJPWWWQJYNYIBE-UHFFFAOYSA-N
MW344.61 g/mol
LogP5.55
Rot. Bonds3

About 2-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-fluoropyridine

2-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-fluoropyridine (PubChem CID 115402237) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is 2-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-fluoropyridine.

Molecular Properties

Compound Name2-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-fluoropyridine
PubChem CID115402237
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name2-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-fluoropyridine
SMILESCC(C)c1cc(Br)ccc1Oc1ncc(Cl)cc1F
InChIInChI=1S/C14H12BrClFNO/c1-8(2)11-5-9(15)3-4-13(11)19-14-12(17)6-10(16)7-18-14/h3-8H,1-2H3
InChIKeyXJPWWWQJYNYIBE-UHFFFAOYSA-N
XLogP5.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.61
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-fluoropyridine?
The IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-fluoropyridine (CID 115402237) is 2-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-fluoropyridine.
What is the SMILES notation for 2-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-fluoropyridine?
The canonical SMILES for 2-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-fluoropyridine is CC(C)c1cc(Br)ccc1Oc1ncc(Cl)cc1F.
What is the InChIKey of 2-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-fluoropyridine?
The InChIKey is XJPWWWQJYNYIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c1-8(2)11-5-9(15)3-4-13(11)19-14-12(17)6-10(16)7-18-14/h3-8H,1-2H3.
What are the key properties of 2-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-fluoropyridine?
2-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-fluoropyridine has a molecular weight of 344.61 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-fluoropyridine is sourced from PubChem (CID 115402237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).