4-bromo-2-methoxypyridine

C6H6BrNO — CID 14062309

IUPAC4-bromo-2-methoxypyridine
SMILESCOc1cc(Br)ccn1
InChIInChI=1S/C6H6BrNO/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3
InChIKeyYFTGMMXMLPTTAY-UHFFFAOYSA-N
MW188.02 g/mol
LogP1.85
Rot. Bonds1

About 4-bromo-2-methoxypyridine

4-bromo-2-methoxypyridine (PubChem CID 14062309) has the molecular formula C6H6BrNO and a molecular weight of 188.02 g/mol. Its IUPAC name is 4-bromo-2-methoxypyridine.

Molecular Properties

Compound Name4-bromo-2-methoxypyridine
PubChem CID14062309
Molecular FormulaC6H6BrNO
Molecular Weight188.02 g/mol
Exact Mass186.96
IUPAC Name4-bromo-2-methoxypyridine
SMILESCOc1cc(Br)ccn1
InChIInChI=1S/C6H6BrNO/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3
InChIKeyYFTGMMXMLPTTAY-UHFFFAOYSA-N
XLogP1.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.02
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-methoxypyridine 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-Methoxypyridine
CID 74201
3-Methoxypyridine
CID 23719
6-Methoxy-3-pyridinylamine
CID 81121
Pyridine, 2-methoxy-4-(trifluoromethyl)-
CID 18539797
5-Bromo-2-methoxypyridin-3-amine
CID 44754869
2-Ethoxypyridine
CID 84499
(2-Methoxypyridin-4-yl)methanamine
CID 16227983
5-Amino-3-bromo-2-methoxypyridine
CID 21310712
2-Methoxypyridin-4-amine
CID 280891
Allyl 2-pyridyl ether
CID 79906
2-Bromo-3-methoxypyridine
CID 90364
2-Bromo-6-methoxypyridine
CID 256810

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxypyridine?
The IUPAC name of 4-bromo-2-methoxypyridine (CID 14062309) is 4-bromo-2-methoxypyridine.
What is the SMILES notation for 4-bromo-2-methoxypyridine?
The canonical SMILES for 4-bromo-2-methoxypyridine is COc1cc(Br)ccn1.
What is the InChIKey of 4-bromo-2-methoxypyridine?
The InChIKey is YFTGMMXMLPTTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3.
What are the key properties of 4-bromo-2-methoxypyridine?
4-bromo-2-methoxypyridine has a molecular weight of 188.02 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxypyridine is sourced from PubChem (CID 14062309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).