4-(bromomethyl)-3-chloro-5-(3-fluorophenyl)pyridine

C12H8BrClFN — CID 118805205

IUPAC4-(bromomethyl)-3-chloro-5-(3-fluorophenyl)pyridine
SMILESFc1cccc(-c2cncc(Cl)c2CBr)c1
InChIInChI=1S/C12H8BrClFN/c13-5-10-11(6-16-7-12(10)14)8-2-1-3-9(15)4-8/h1-4,6-7H,5H2
InChIKeyXKDYBLSRVIKXAN-UHFFFAOYSA-N
MW300.56 g/mol
LogP4.44
Rot. Bonds2

About 4-(bromomethyl)-3-chloro-5-(3-fluorophenyl)pyridine

4-(bromomethyl)-3-chloro-5-(3-fluorophenyl)pyridine (PubChem CID 118805205) has the molecular formula C12H8BrClFN and a molecular weight of 300.56 g/mol. Its IUPAC name is 4-(bromomethyl)-3-chloro-5-(3-fluorophenyl)pyridine.

Molecular Properties

Compound Name4-(bromomethyl)-3-chloro-5-(3-fluorophenyl)pyridine
PubChem CID118805205
Molecular FormulaC12H8BrClFN
Molecular Weight300.56 g/mol
Exact Mass298.95
IUPAC Name4-(bromomethyl)-3-chloro-5-(3-fluorophenyl)pyridine
SMILESFc1cccc(-c2cncc(Cl)c2CBr)c1
InChIInChI=1S/C12H8BrClFN/c13-5-10-11(6-16-7-12(10)14)8-2-1-3-9(15)4-8/h1-4,6-7H,5H2
InChIKeyXKDYBLSRVIKXAN-UHFFFAOYSA-N
XLogP4.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.56
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-3-chloro-5-(3-fluorophenyl)pyridine?
The IUPAC name of 4-(bromomethyl)-3-chloro-5-(3-fluorophenyl)pyridine (CID 118805205) is 4-(bromomethyl)-3-chloro-5-(3-fluorophenyl)pyridine.
What is the SMILES notation for 4-(bromomethyl)-3-chloro-5-(3-fluorophenyl)pyridine?
The canonical SMILES for 4-(bromomethyl)-3-chloro-5-(3-fluorophenyl)pyridine is Fc1cccc(-c2cncc(Cl)c2CBr)c1.
What is the InChIKey of 4-(bromomethyl)-3-chloro-5-(3-fluorophenyl)pyridine?
The InChIKey is XKDYBLSRVIKXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFN/c13-5-10-11(6-16-7-12(10)14)8-2-1-3-9(15)4-8/h1-4,6-7H,5H2.
What are the key properties of 4-(bromomethyl)-3-chloro-5-(3-fluorophenyl)pyridine?
4-(bromomethyl)-3-chloro-5-(3-fluorophenyl)pyridine has a molecular weight of 300.56 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-3-chloro-5-(3-fluorophenyl)pyridine is sourced from PubChem (CID 118805205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).