5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine

C12H8BrClFNO — CID 107087885

IUPAC5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine
SMILESFc1ccc(Oc2ccc(CBr)cn2)c(Cl)c1
InChIInChI=1S/C12H8BrClFNO/c13-6-8-1-4-12(16-7-8)17-11-3-2-9(15)5-10(11)14/h1-5,7H,6H2
InChIKeyGIQXNNIYTNDXIJ-UHFFFAOYSA-N
MW316.56 g/mol
LogP4.56
Rot. Bonds3

About 5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine

5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine (PubChem CID 107087885) has the molecular formula C12H8BrClFNO and a molecular weight of 316.56 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine
PubChem CID107087885
Molecular FormulaC12H8BrClFNO
Molecular Weight316.56 g/mol
Exact Mass314.95
IUPAC Name5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine
SMILESFc1ccc(Oc2ccc(CBr)cn2)c(Cl)c1
InChIInChI=1S/C12H8BrClFNO/c13-6-8-1-4-12(16-7-8)17-11-3-2-9(15)5-10(11)14/h1-5,7H,6H2
InChIKeyGIQXNNIYTNDXIJ-UHFFFAOYSA-N
XLogP4.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.56
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-chloro-2-(2-chloro-4-fluorophenoxy)pyridine
CID 66234554
5-(bromomethyl)-2-(3-chloro-2-fluorophenoxy)pyridine
CID 107089215
1-[4-(bromomethyl)phenoxy]-2-chloro-4-fluorobenzene
CID 107087882
5-(bromomethyl)-2-(2,4-dimethylphenoxy)pyridine
CID 107086693
6-(2-chloro-4-fluorophenoxy)pyridine-3-carboximidamide
CID 54880716
methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate
CID 134204705
5-(bromomethyl)-2-(4,5-dichloro-2-nitrophenoxy)pyridine
CID 107500369
5-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine
CID 107087446
5-(bromomethyl)-2-(3,4-difluorophenoxy)pyridine
CID 107087768
[6-(2-chloro-4-methylphenoxy)-3-pyridinyl]methanol
CID 62672212
1-[2-(bromomethyl)-3-chlorophenoxy]-2-chloro-4-fluorobenzene
CID 107087872
1-[2-(bromomethyl)phenoxy]-2-chloro-4-fluorobenzene
CID 107087875

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine?
The IUPAC name of 5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine (CID 107087885) is 5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine.
What is the SMILES notation for 5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine?
The canonical SMILES for 5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine is Fc1ccc(Oc2ccc(CBr)cn2)c(Cl)c1.
What is the InChIKey of 5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine?
The InChIKey is GIQXNNIYTNDXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNO/c13-6-8-1-4-12(16-7-8)17-11-3-2-9(15)5-10(11)14/h1-5,7H,6H2.
What are the key properties of 5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine?
5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine has a molecular weight of 316.56 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine is sourced from PubChem (CID 107087885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).