3-(4-bromophenoxy)-4-(chloromethyl)pyridine

C12H9BrClNO — CID 105067647

IUPAC3-(4-bromophenoxy)-4-(chloromethyl)pyridine
SMILESClCc1ccncc1Oc1ccc(Br)cc1
InChIInChI=1S/C12H9BrClNO/c13-10-1-3-11(4-2-10)16-12-8-15-6-5-9(12)7-14/h1-6,8H,7H2
InChIKeyRTWUIMIUPVDFHJ-UHFFFAOYSA-N
MW298.57 g/mol
LogP4.38
Rot. Bonds3

About 3-(4-bromophenoxy)-4-(chloromethyl)pyridine

3-(4-bromophenoxy)-4-(chloromethyl)pyridine (PubChem CID 105067647) has the molecular formula C12H9BrClNO and a molecular weight of 298.57 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-4-(chloromethyl)pyridine.

Molecular Properties

Compound Name3-(4-bromophenoxy)-4-(chloromethyl)pyridine
PubChem CID105067647
Molecular FormulaC12H9BrClNO
Molecular Weight298.57 g/mol
Exact Mass296.96
IUPAC Name3-(4-bromophenoxy)-4-(chloromethyl)pyridine
SMILESClCc1ccncc1Oc1ccc(Br)cc1
InChIInChI=1S/C12H9BrClNO/c13-10-1-3-11(4-2-10)16-12-8-15-6-5-9(12)7-14/h1-6,8H,7H2
InChIKeyRTWUIMIUPVDFHJ-UHFFFAOYSA-N
XLogP4.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.57
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-3-(3,5-dimethylphenoxy)pyridine
CID 105067653
4-(chloromethyl)-3-(3-ethylphenoxy)pyridine
CID 105067622
4-bromo-1-(chloromethyl)-2-(4-chlorophenoxy)benzene
CID 43174130
[3-(3,4-dichlorophenoxy)-4-pyridinyl]methanol
CID 105067098
4-(chloromethyl)-3-(2,3-dimethylphenoxy)pyridine
CID 105067641
4-(chloromethyl)-3-(5-chloro-2-methylphenoxy)pyridine
CID 105067739
4-(4-bromophenoxy)pyridine-3-carboxamide
CID 147228091
[3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methanol
CID 105067210
1-[3-(4-ethoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105075216
[4-(6-bromonaphthalen-2-yl)oxy-3-pyridinyl]methanamine
CID 81251221
4-bromo-1-(chloromethyl)-2-(3-chlorophenoxy)benzene
CID 43365197
4-pentyl-3-phenoxypyridine
CID 173046751

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-4-(chloromethyl)pyridine?
The IUPAC name of 3-(4-bromophenoxy)-4-(chloromethyl)pyridine (CID 105067647) is 3-(4-bromophenoxy)-4-(chloromethyl)pyridine.
What is the SMILES notation for 3-(4-bromophenoxy)-4-(chloromethyl)pyridine?
The canonical SMILES for 3-(4-bromophenoxy)-4-(chloromethyl)pyridine is ClCc1ccncc1Oc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenoxy)-4-(chloromethyl)pyridine?
The InChIKey is RTWUIMIUPVDFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO/c13-10-1-3-11(4-2-10)16-12-8-15-6-5-9(12)7-14/h1-6,8H,7H2.
What are the key properties of 3-(4-bromophenoxy)-4-(chloromethyl)pyridine?
3-(4-bromophenoxy)-4-(chloromethyl)pyridine has a molecular weight of 298.57 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)-4-(chloromethyl)pyridine is sourced from PubChem (CID 105067647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).