3,6-difluoro-2-methyl-4-propan-2-ylpyridine

C9H11F2N — CID 159755748

IUPAC3,6-difluoro-2-methyl-4-propan-2-ylpyridine
SMILESCc1nc(F)cc(C(C)C)c1F
InChIInChI=1S/C9H11F2N/c1-5(2)7-4-8(10)12-6(3)9(7)11/h4-5H,1-3H3
InChIKeyLPYHATMPSGIWMK-UHFFFAOYSA-N
MW171.19 g/mol
LogP2.79
Rot. Bonds1

About 3,6-difluoro-2-methyl-4-propan-2-ylpyridine

3,6-difluoro-2-methyl-4-propan-2-ylpyridine (PubChem CID 159755748) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is 3,6-difluoro-2-methyl-4-propan-2-ylpyridine.

Molecular Properties

Compound Name3,6-difluoro-2-methyl-4-propan-2-ylpyridine
PubChem CID159755748
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC Name3,6-difluoro-2-methyl-4-propan-2-ylpyridine
SMILESCc1nc(F)cc(C(C)C)c1F
InChIInChI=1S/C9H11F2N/c1-5(2)7-4-8(10)12-6(3)9(7)11/h4-5H,1-3H3
InChIKeyLPYHATMPSGIWMK-UHFFFAOYSA-N
XLogP2.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,6-difluoro-2-methyl-4-propan-2-ylpyridine 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

2,3,6-trifluoro-4-propan-2-ylpyridine
CID 155383026
3-bromo-6-fluoro-2,4-di(propan-2-yl)pyridine;ethane
CID 142522540
4-fluoro-6-methyl-2-propan-2-ylpyrimidine
CID 173416420
2,3,5-trifluoro-6-methyl-4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine
CID 170246272
3,6-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine
CID 10608131
3-chloro-6-fluoro-2,4-dimethylpyridine
CID 143020337
4-fluoro-2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 130179083
4-(difluoromethyl)-5-fluoro-6-methylpyridine-2-carbonitrile
CID 130075987
2-bromo-6-fluoro-4-methyl-3-propan-2-ylpyridine
CID 153298254
4-(difluoromethyl)-6-fluoro-3-methylpyridin-2-amine
CID 130103914
2-fluoro-3-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione
CID 122543734
2-cyclopropyl-6-methyl-4-propan-2-ylpyridine;2-fluoro-6-methyl-4-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine
CID 177151606

Frequently Asked Questions

What is the IUPAC name of 3,6-difluoro-2-methyl-4-propan-2-ylpyridine?
The IUPAC name of 3,6-difluoro-2-methyl-4-propan-2-ylpyridine (CID 159755748) is 3,6-difluoro-2-methyl-4-propan-2-ylpyridine.
What is the SMILES notation for 3,6-difluoro-2-methyl-4-propan-2-ylpyridine?
The canonical SMILES for 3,6-difluoro-2-methyl-4-propan-2-ylpyridine is Cc1nc(F)cc(C(C)C)c1F.
What is the InChIKey of 3,6-difluoro-2-methyl-4-propan-2-ylpyridine?
The InChIKey is LPYHATMPSGIWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N/c1-5(2)7-4-8(10)12-6(3)9(7)11/h4-5H,1-3H3.
What are the key properties of 3,6-difluoro-2-methyl-4-propan-2-ylpyridine?
3,6-difluoro-2-methyl-4-propan-2-ylpyridine has a molecular weight of 171.19 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-difluoro-2-methyl-4-propan-2-ylpyridine is sourced from PubChem (CID 159755748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).