3-bromo-2,4-diethoxypyridine

C9H12BrNO2 — CID 824659

IUPAC3-bromo-2,4-diethoxypyridine
SMILESCCOc1ccnc(OCC)c1Br
InChIInChI=1S/C9H12BrNO2/c1-3-12-7-5-6-11-9(8(7)10)13-4-2/h5-6H,3-4H2,1-2H3
InChIKeyFNHIIFXGVLDQAE-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.64
Rot. Bonds4

About 3-bromo-2,4-diethoxypyridine

3-bromo-2,4-diethoxypyridine (PubChem CID 824659) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is 3-bromo-2,4-diethoxypyridine.

Molecular Properties

Compound Name3-bromo-2,4-diethoxypyridine
PubChem CID824659
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name3-bromo-2,4-diethoxypyridine
SMILESCCOc1ccnc(OCC)c1Br
InChIInChI=1S/C9H12BrNO2/c1-3-12-7-5-6-11-9(8(7)10)13-4-2/h5-6H,3-4H2,1-2H3
InChIKeyFNHIIFXGVLDQAE-UHFFFAOYSA-N
XLogP2.64
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-2,4-diethoxypyridine with MolForge

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

Launch Full Analysis

Related Compounds

2-Ethoxypyridine
CID 84499
Allyl 2-pyridyl ether
CID 79906
Butyl 2-pyridyl ether
CID 95701
5-Bromo-2-methoxypyridine
CID 2734895
4-Bromo-2-methoxypyridine
CID 14062309
3-Bromo-5-(propan-2-yloxy)pyridine
CID 10584808
3-Bromo-4-methoxypyridine
CID 642827
5-Bromo-2-ethoxypyridine
CID 817237
5-Bromo-2-methoxy-4-methylpyridine
CID 4178002
3-Bromo-2-ethoxypyridine
CID 10987308
2-[(6-bromo-3-pyridinyl)oxy]-N-ethyl-N-methylethanamine
CID 44302527
2,4-Dimethoxypyridine
CID 817731

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,4-diethoxypyridine?
The IUPAC name of 3-bromo-2,4-diethoxypyridine (CID 824659) is 3-bromo-2,4-diethoxypyridine.
What is the SMILES notation for 3-bromo-2,4-diethoxypyridine?
The canonical SMILES for 3-bromo-2,4-diethoxypyridine is CCOc1ccnc(OCC)c1Br.
What is the InChIKey of 3-bromo-2,4-diethoxypyridine?
The InChIKey is FNHIIFXGVLDQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c1-3-12-7-5-6-11-9(8(7)10)13-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-bromo-2,4-diethoxypyridine?
3-bromo-2,4-diethoxypyridine has a molecular weight of 246.10 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,4-diethoxypyridine is sourced from PubChem (CID 824659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).