2-(4-tert-butyl-2-methylphenoxy)-5-chloro-3-fluoropyridine

C16H17ClFNO — CID 79727810

IUPAC2-(4-tert-butyl-2-methylphenoxy)-5-chloro-3-fluoropyridine
SMILESCc1cc(C(C)(C)C)ccc1Oc1ncc(Cl)cc1F
InChIInChI=1S/C16H17ClFNO/c1-10-7-11(16(2,3)4)5-6-14(10)20-15-13(18)8-12(17)9-19-15/h5-9H,1-4H3
InChIKeyYMUPRLBQZJOWBT-UHFFFAOYSA-N
MW293.77 g/mol
LogP5.27
Rot. Bonds2

About 2-(4-tert-butyl-2-methylphenoxy)-5-chloro-3-fluoropyridine

2-(4-tert-butyl-2-methylphenoxy)-5-chloro-3-fluoropyridine (PubChem CID 79727810) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methylphenoxy)-5-chloro-3-fluoropyridine.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methylphenoxy)-5-chloro-3-fluoropyridine
PubChem CID79727810
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name2-(4-tert-butyl-2-methylphenoxy)-5-chloro-3-fluoropyridine
SMILESCc1cc(C(C)(C)C)ccc1Oc1ncc(Cl)cc1F
InChIInChI=1S/C16H17ClFNO/c1-10-7-11(16(2,3)4)5-6-14(10)20-15-13(18)8-12(17)9-19-15/h5-9H,1-4H3
InChIKeyYMUPRLBQZJOWBT-UHFFFAOYSA-N
XLogP5.27
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.77
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-(4-tert-butyl-2-methylphenoxy)-5-chloropyridine
CID 114837638
2-(2-tert-butyl-4-methylphenoxy)-5-chloro-3-fluoropyridine
CID 79727805
2-(2-tert-butylphenoxy)-5-chloro-3-fluoropyridine
CID 79728002
2-(4-bromo-2-fluorophenoxy)-5-chloro-3-fluoropyridine
CID 79727302
3-bromo-5-chloro-2-(4-chloro-2-methylphenoxy)pyridine
CID 114837551
5-chloro-3-fluoro-2-(2-iodophenoxy)pyridine
CID 79727918
5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline
CID 79727544
5-chloro-3-fluoro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 79733934
[3-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 79734258
5-bromo-6-(4-tert-butyl-2-methylphenoxy)pyridin-3-amine
CID 79534852
5-chloro-3-fluoro-2-(2-phenylphenoxy)pyridine
CID 79713542
5-chloro-3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
CID 79727500

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)-5-chloro-3-fluoropyridine?
The IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)-5-chloro-3-fluoropyridine (CID 79727810) is 2-(4-tert-butyl-2-methylphenoxy)-5-chloro-3-fluoropyridine.
What is the SMILES notation for 2-(4-tert-butyl-2-methylphenoxy)-5-chloro-3-fluoropyridine?
The canonical SMILES for 2-(4-tert-butyl-2-methylphenoxy)-5-chloro-3-fluoropyridine is Cc1cc(C(C)(C)C)ccc1Oc1ncc(Cl)cc1F.
What is the InChIKey of 2-(4-tert-butyl-2-methylphenoxy)-5-chloro-3-fluoropyridine?
The InChIKey is YMUPRLBQZJOWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-10-7-11(16(2,3)4)5-6-14(10)20-15-13(18)8-12(17)9-19-15/h5-9H,1-4H3.
What are the key properties of 2-(4-tert-butyl-2-methylphenoxy)-5-chloro-3-fluoropyridine?
2-(4-tert-butyl-2-methylphenoxy)-5-chloro-3-fluoropyridine has a molecular weight of 293.77 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-methylphenoxy)-5-chloro-3-fluoropyridine is sourced from PubChem (CID 79727810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).