5-(bromomethyl)-2-(3-chlorophenoxy)pyridine

C12H9BrClNO — CID 107087158

IUPAC5-(bromomethyl)-2-(3-chlorophenoxy)pyridine
SMILESClc1cccc(Oc2ccc(CBr)cn2)c1
InChIInChI=1S/C12H9BrClNO/c13-7-9-4-5-12(15-8-9)16-11-3-1-2-10(14)6-11/h1-6,8H,7H2
InChIKeyYRZUHHFXSGLTFK-UHFFFAOYSA-N
MW298.57 g/mol
LogP4.42
Rot. Bonds3

About 5-(bromomethyl)-2-(3-chlorophenoxy)pyridine

5-(bromomethyl)-2-(3-chlorophenoxy)pyridine (PubChem CID 107087158) has the molecular formula C12H9BrClNO and a molecular weight of 298.57 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(3-chlorophenoxy)pyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(3-chlorophenoxy)pyridine
PubChem CID107087158
Molecular FormulaC12H9BrClNO
Molecular Weight298.57 g/mol
Exact Mass296.96
IUPAC Name5-(bromomethyl)-2-(3-chlorophenoxy)pyridine
SMILESClc1cccc(Oc2ccc(CBr)cn2)c1
InChIInChI=1S/C12H9BrClNO/c13-7-9-4-5-12(15-8-9)16-11-3-1-2-10(14)6-11/h1-6,8H,7H2
InChIKeyYRZUHHFXSGLTFK-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
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

5-(bromomethyl)-2-(3,4-difluorophenoxy)pyridine
CID 107087768
5-(bromomethyl)-2-(6-bromonaphthalen-2-yl)oxypyridine
CID 107087262
7-[[5-(bromomethyl)-2-pyridinyl]oxy]quinoline
CID 107314168
5-(bromomethyl)-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
CID 107086855
[6-(3-bromophenoxy)-3-pyridinyl]methanol
CID 61255243
5-(bromomethyl)-2-(3-chloro-2-fluorophenoxy)pyridine
CID 107089215
[5-(3-chlorophenoxy)pyrazin-2-yl]methanol
CID 107373083
[5-chloro-6-(3-chlorophenoxy)-3-pyridinyl]methanamine
CID 62321461
[6-(3-aminophenoxy)-3-pyridinyl]methanol
CID 89089280
5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine
CID 107087885
1-(bromomethoxy)-3-chlorobenzene
CID 22961199
2-[6-(3-chlorophenoxy)-3-pyridinyl]propanoic acid
CID 12945031

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(3-chlorophenoxy)pyridine?
The IUPAC name of 5-(bromomethyl)-2-(3-chlorophenoxy)pyridine (CID 107087158) is 5-(bromomethyl)-2-(3-chlorophenoxy)pyridine.
What is the SMILES notation for 5-(bromomethyl)-2-(3-chlorophenoxy)pyridine?
The canonical SMILES for 5-(bromomethyl)-2-(3-chlorophenoxy)pyridine is Clc1cccc(Oc2ccc(CBr)cn2)c1.
What is the InChIKey of 5-(bromomethyl)-2-(3-chlorophenoxy)pyridine?
The InChIKey is YRZUHHFXSGLTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO/c13-7-9-4-5-12(15-8-9)16-11-3-1-2-10(14)6-11/h1-6,8H,7H2.
What are the key properties of 5-(bromomethyl)-2-(3-chlorophenoxy)pyridine?
5-(bromomethyl)-2-(3-chlorophenoxy)pyridine has a molecular weight of 298.57 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(3-chlorophenoxy)pyridine is sourced from PubChem (CID 107087158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).