4-bromo-6-chloro-3-[(4-methoxyphenyl)methoxy]-2-propoxypyridine

C16H17BrClNO3 — CID 175878057

IUPAC4-bromo-6-chloro-3-[(4-methoxyphenyl)methoxy]-2-propoxypyridine
SMILESCCCOc1nc(Cl)cc(Br)c1OCc1ccc(OC)cc1
InChIInChI=1S/C16H17BrClNO3/c1-3-8-21-16-15(13(17)9-14(18)19-16)22-10-11-4-6-12(20-2)7-5-11/h4-7,9H,3,8,10H2,1-2H3
InChIKeyYVZMSJQHCDYDLH-UHFFFAOYSA-N
MW386.67 g/mol
LogP4.87
Rot. Bonds7

About 4-bromo-6-chloro-3-[(4-methoxyphenyl)methoxy]-2-propoxypyridine

4-bromo-6-chloro-3-[(4-methoxyphenyl)methoxy]-2-propoxypyridine (PubChem CID 175878057) has the molecular formula C16H17BrClNO3 and a molecular weight of 386.67 g/mol. Its IUPAC name is 4-bromo-6-chloro-3-[(4-methoxyphenyl)methoxy]-2-propoxypyridine.

Molecular Properties

Compound Name4-bromo-6-chloro-3-[(4-methoxyphenyl)methoxy]-2-propoxypyridine
PubChem CID175878057
Molecular FormulaC16H17BrClNO3
Molecular Weight386.67 g/mol
Exact Mass385.01
IUPAC Name4-bromo-6-chloro-3-[(4-methoxyphenyl)methoxy]-2-propoxypyridine
SMILESCCCOc1nc(Cl)cc(Br)c1OCc1ccc(OC)cc1
InChIInChI=1S/C16H17BrClNO3/c1-3-8-21-16-15(13(17)9-14(18)19-16)22-10-11-4-6-12(20-2)7-5-11/h4-7,9H,3,8,10H2,1-2H3
InChIKeyYVZMSJQHCDYDLH-UHFFFAOYSA-N
XLogP4.87
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.67
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-bromo-6-chloro-3-[(4-methoxyphenyl)methoxy]-2-propoxypyridine 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 4-bromo-6-chloro-3-[(4-methoxyphenyl)methoxy]-2-propoxypyridine?
The IUPAC name of 4-bromo-6-chloro-3-[(4-methoxyphenyl)methoxy]-2-propoxypyridine (CID 175878057) is 4-bromo-6-chloro-3-[(4-methoxyphenyl)methoxy]-2-propoxypyridine.
What is the SMILES notation for 4-bromo-6-chloro-3-[(4-methoxyphenyl)methoxy]-2-propoxypyridine?
The canonical SMILES for 4-bromo-6-chloro-3-[(4-methoxyphenyl)methoxy]-2-propoxypyridine is CCCOc1nc(Cl)cc(Br)c1OCc1ccc(OC)cc1.
What is the InChIKey of 4-bromo-6-chloro-3-[(4-methoxyphenyl)methoxy]-2-propoxypyridine?
The InChIKey is YVZMSJQHCDYDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO3/c1-3-8-21-16-15(13(17)9-14(18)19-16)22-10-11-4-6-12(20-2)7-5-11/h4-7,9H,3,8,10H2,1-2H3.
What are the key properties of 4-bromo-6-chloro-3-[(4-methoxyphenyl)methoxy]-2-propoxypyridine?
4-bromo-6-chloro-3-[(4-methoxyphenyl)methoxy]-2-propoxypyridine has a molecular weight of 386.67 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloro-3-[(4-methoxyphenyl)methoxy]-2-propoxypyridine is sourced from PubChem (CID 175878057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).