3-(bromomethyl)-5-chloro-4-methoxypyridine

C7H7BrClNO — CID 130849755

IUPAC3-(bromomethyl)-5-chloro-4-methoxypyridine
SMILESCOc1c(Cl)cncc1CBr
InChIInChI=1S/C7H7BrClNO/c1-11-7-5(2-8)3-10-4-6(7)9/h3-4H,2H2,1H3
InChIKeyDPRZWQBBUJYULV-UHFFFAOYSA-N
MW236.50 g/mol
LogP2.64
Rot. Bonds2

About 3-(bromomethyl)-5-chloro-4-methoxypyridine

3-(bromomethyl)-5-chloro-4-methoxypyridine (PubChem CID 130849755) has the molecular formula C7H7BrClNO and a molecular weight of 236.50 g/mol. Its IUPAC name is 3-(bromomethyl)-5-chloro-4-methoxypyridine.

Molecular Properties

Compound Name3-(bromomethyl)-5-chloro-4-methoxypyridine
PubChem CID130849755
Molecular FormulaC7H7BrClNO
Molecular Weight236.50 g/mol
Exact Mass234.94
IUPAC Name3-(bromomethyl)-5-chloro-4-methoxypyridine
SMILESCOc1c(Cl)cncc1CBr
InChIInChI=1S/C7H7BrClNO/c1-11-7-5(2-8)3-10-4-6(7)9/h3-4H,2H2,1H3
InChIKeyDPRZWQBBUJYULV-UHFFFAOYSA-N
XLogP2.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.50
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(bromomethyl)-5-chloro-4-methoxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5-chloro-4-methoxypyridine?
The IUPAC name of 3-(bromomethyl)-5-chloro-4-methoxypyridine (CID 130849755) is 3-(bromomethyl)-5-chloro-4-methoxypyridine.
What is the SMILES notation for 3-(bromomethyl)-5-chloro-4-methoxypyridine?
The canonical SMILES for 3-(bromomethyl)-5-chloro-4-methoxypyridine is COc1c(Cl)cncc1CBr.
What is the InChIKey of 3-(bromomethyl)-5-chloro-4-methoxypyridine?
The InChIKey is DPRZWQBBUJYULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO/c1-11-7-5(2-8)3-10-4-6(7)9/h3-4H,2H2,1H3.
What are the key properties of 3-(bromomethyl)-5-chloro-4-methoxypyridine?
3-(bromomethyl)-5-chloro-4-methoxypyridine has a molecular weight of 236.50 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-chloro-4-methoxypyridine is sourced from PubChem (CID 130849755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).