4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine

C14H13BrClNO — CID 113302886

IUPAC4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine
SMILESCC(C)c1cc(Br)ccc1Oc1ccnc(Cl)c1
InChIInChI=1S/C14H13BrClNO/c1-9(2)12-7-10(15)3-4-13(12)18-11-5-6-17-14(16)8-11/h3-9H,1-2H3
InChIKeyQPNCNJXQLVWSOI-UHFFFAOYSA-N
MW326.62 g/mol
LogP5.41
Rot. Bonds3

About 4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine

4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine (PubChem CID 113302886) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine.

Molecular Properties

Compound Name4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine
PubChem CID113302886
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine
SMILESCC(C)c1cc(Br)ccc1Oc1ccnc(Cl)c1
InChIInChI=1S/C14H13BrClNO/c1-9(2)12-7-10(15)3-4-13(12)18-11-5-6-17-14(16)8-11/h3-9H,1-2H3
InChIKeyQPNCNJXQLVWSOI-UHFFFAOYSA-N
XLogP5.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.62
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 115402194
4-(4-bromo-2-propan-2-ylphenoxy)-2-chlorobenzonitrile
CID 115401793
4-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-2-amine
CID 113303074
1-[5-(4-bromo-2-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83123632
1-[4-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine
CID 115402372
4-(5-bromo-2,3-difluorophenoxy)-2-chloropyridine
CID 107098123
3-[(2-chloro-4-pyridinyl)oxy]-2-phenyl-6-propan-2-ylpyridine
CID 162781529
2-(4-bromo-2-propan-2-ylphenoxy)pyridine-3-sulfonamide
CID 115928526
2-(4-bromo-2-propan-2-ylphenoxy)-4-nitropyridine
CID 115402257
1-[4-(4-bromo-2-propan-2-ylphenoxy)phenyl]-N-methylethanamine
CID 115402371
1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanol
CID 82970527
1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanamine
CID 82975717

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine?
The IUPAC name of 4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine (CID 113302886) is 4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine.
What is the SMILES notation for 4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine?
The canonical SMILES for 4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine is CC(C)c1cc(Br)ccc1Oc1ccnc(Cl)c1.
What is the InChIKey of 4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine?
The InChIKey is QPNCNJXQLVWSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c1-9(2)12-7-10(15)3-4-13(12)18-11-5-6-17-14(16)8-11/h3-9H,1-2H3.
What are the key properties of 4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine?
4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine has a molecular weight of 326.62 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine is sourced from PubChem (CID 113302886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).