4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-chloropyridine

C15H15BrClNO — CID 113302926

IUPAC4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-chloropyridine
SMILESCC(C)c1cc(Br)ccc1OCc1ccncc1Cl
InChIInChI=1S/C15H15BrClNO/c1-10(2)13-7-12(16)3-4-15(13)19-9-11-5-6-18-8-14(11)17/h3-8,10H,9H2,1-2H3
InChIKeyQWTLZYDTHKDJPQ-UHFFFAOYSA-N
MW340.65 g/mol
LogP5.20
Rot. Bonds4

About 4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-chloropyridine

4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-chloropyridine (PubChem CID 113302926) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-chloropyridine.

Molecular Properties

Compound Name4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-chloropyridine
PubChem CID113302926
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-chloropyridine
SMILESCC(C)c1cc(Br)ccc1OCc1ccncc1Cl
InChIInChI=1S/C15H15BrClNO/c1-10(2)13-7-12(16)3-4-15(13)19-9-11-5-6-18-8-14(11)17/h3-8,10H,9H2,1-2H3
InChIKeyQWTLZYDTHKDJPQ-UHFFFAOYSA-N
XLogP5.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.65
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[5-chloro-2-[(3-chloro-4-pyridinyl)methoxy]phenyl]ethanamine
CID 79014080
(1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 104862353
(1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 78944107
2-bromo-1-[(4-bromo-2-propan-2-ylphenoxy)methyl]-4-fluorobenzene
CID 115402119
5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-propan-2-ylimidazole
CID 115402091
(1R)-1-[2-[(3-chloro-4-pyridinyl)methoxy]-4-methoxyphenyl]ethanol
CID 82001578
5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 115402628
[6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine
CID 115402665
1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655718
4-[[4-bromo-2-(1-hydroxyethyl)phenoxy]methyl]-3-chlorobenzonitrile
CID 102668663
1-[2-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114928961
1-[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 62380101

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-chloropyridine?
The IUPAC name of 4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-chloropyridine (CID 113302926) is 4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-chloropyridine.
What is the SMILES notation for 4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-chloropyridine?
The canonical SMILES for 4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-chloropyridine is CC(C)c1cc(Br)ccc1OCc1ccncc1Cl.
What is the InChIKey of 4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-chloropyridine?
The InChIKey is QWTLZYDTHKDJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-10(2)13-7-12(16)3-4-15(13)19-9-11-5-6-18-8-14(11)17/h3-8,10H,9H2,1-2H3.
What are the key properties of 4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-chloropyridine?
4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-chloropyridine has a molecular weight of 340.65 g/mol, XLogP of 5.20, 4 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)methyl]-3-chloropyridine is sourced from PubChem (CID 113302926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).