2-[4-bromo-1-(oxolan-3-yl)pyrazol-3-yl]-6-methylpyridine

C13H14BrN3O — CID 139505146

IUPAC2-[4-bromo-1-(oxolan-3-yl)pyrazol-3-yl]-6-methylpyridine
SMILESCc1cccc(-c2nn(C3CCOC3)cc2Br)n1
InChIInChI=1S/C13H14BrN3O/c1-9-3-2-4-12(15-9)13-11(14)7-17(16-13)10-5-6-18-8-10/h2-4,7,10H,5-6,8H2,1H3
InChIKeyBLWVGHNPUWODFF-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.98
Rot. Bonds2

About 2-[4-bromo-1-(oxolan-3-yl)pyrazol-3-yl]-6-methylpyridine

2-[4-bromo-1-(oxolan-3-yl)pyrazol-3-yl]-6-methylpyridine (PubChem CID 139505146) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-[4-bromo-1-(oxolan-3-yl)pyrazol-3-yl]-6-methylpyridine.

Molecular Properties

Compound Name2-[4-bromo-1-(oxolan-3-yl)pyrazol-3-yl]-6-methylpyridine
PubChem CID139505146
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name2-[4-bromo-1-(oxolan-3-yl)pyrazol-3-yl]-6-methylpyridine
SMILESCc1cccc(-c2nn(C3CCOC3)cc2Br)n1
InChIInChI=1S/C13H14BrN3O/c1-9-3-2-4-12(15-9)13-11(14)7-17(16-13)10-5-6-18-8-10/h2-4,7,10H,5-6,8H2,1H3
InChIKeyBLWVGHNPUWODFF-UHFFFAOYSA-N
XLogP2.98
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-bromo-1-(oxolan-3-yl)pyrazol-3-yl]-6-methylpyridine 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-[4-bromo-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-5-fluoropyridine
CID 175920701
2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine
CID 150705653
2-methyl-6-[1-(oxetan-3-yl)pyrazol-3-yl]pyridine
CID 134515476
4-bromo-3-nitro-1-(oxolan-3-yl)pyrazole
CID 63564772
4-bromo-6-[3-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole
CID 166146394
2-[1-[(3S)-oxolan-3-yl]triazol-4-yl]pyridine
CID 167978510
4-bromo-1-(oxan-4-yl)pyrazol-3-amine
CID 63938031
ethane;4-methyl-1-(oxolan-3-yl)pyrazole
CID 143510060
4-bromo-1-(oxan-4-yl)pyrazole-3-carbonitrile
CID 170965442
5-bromo-6-methyl-2-(oxan-4-yl)indazole
CID 178165259
3-(2,5-dimethylpyrrol-1-yl)-1-[(3S)-oxolan-3-yl]pyrazole
CID 157041913
N-[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]-2-(oxolan-3-yl)pyrazolo[4,3-b]pyridin-7-amine
CID 77297700

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-1-(oxolan-3-yl)pyrazol-3-yl]-6-methylpyridine?
The IUPAC name of 2-[4-bromo-1-(oxolan-3-yl)pyrazol-3-yl]-6-methylpyridine (CID 139505146) is 2-[4-bromo-1-(oxolan-3-yl)pyrazol-3-yl]-6-methylpyridine.
What is the SMILES notation for 2-[4-bromo-1-(oxolan-3-yl)pyrazol-3-yl]-6-methylpyridine?
The canonical SMILES for 2-[4-bromo-1-(oxolan-3-yl)pyrazol-3-yl]-6-methylpyridine is Cc1cccc(-c2nn(C3CCOC3)cc2Br)n1.
What is the InChIKey of 2-[4-bromo-1-(oxolan-3-yl)pyrazol-3-yl]-6-methylpyridine?
The InChIKey is BLWVGHNPUWODFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-9-3-2-4-12(15-9)13-11(14)7-17(16-13)10-5-6-18-8-10/h2-4,7,10H,5-6,8H2,1H3.
What are the key properties of 2-[4-bromo-1-(oxolan-3-yl)pyrazol-3-yl]-6-methylpyridine?
2-[4-bromo-1-(oxolan-3-yl)pyrazol-3-yl]-6-methylpyridine has a molecular weight of 308.18 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-1-(oxolan-3-yl)pyrazol-3-yl]-6-methylpyridine is sourced from PubChem (CID 139505146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).