4-bromo-2-fluoro-3-methyl-6-propan-2-ylpyridine

C9H11BrFN — CID 153298968

IUPAC4-bromo-2-fluoro-3-methyl-6-propan-2-ylpyridine
SMILESCc1c(Br)cc(C(C)C)nc1F
InChIInChI=1S/C9H11BrFN/c1-5(2)8-4-7(10)6(3)9(11)12-8/h4-5H,1-3H3
InChIKeyWDYMJDKMAQSHQL-UHFFFAOYSA-N
MW232.10 g/mol
LogP3.42
Rot. Bonds1

About 4-bromo-2-fluoro-3-methyl-6-propan-2-ylpyridine

4-bromo-2-fluoro-3-methyl-6-propan-2-ylpyridine (PubChem CID 153298968) has the molecular formula C9H11BrFN and a molecular weight of 232.10 g/mol. Its IUPAC name is 4-bromo-2-fluoro-3-methyl-6-propan-2-ylpyridine.

Molecular Properties

Compound Name4-bromo-2-fluoro-3-methyl-6-propan-2-ylpyridine
PubChem CID153298968
Molecular FormulaC9H11BrFN
Molecular Weight232.10 g/mol
Exact Mass231.01
IUPAC Name4-bromo-2-fluoro-3-methyl-6-propan-2-ylpyridine
SMILESCc1c(Br)cc(C(C)C)nc1F
InChIInChI=1S/C9H11BrFN/c1-5(2)8-4-7(10)6(3)9(11)12-8/h4-5H,1-3H3
InChIKeyWDYMJDKMAQSHQL-UHFFFAOYSA-N
XLogP3.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-fluoro-6-propan-2-ylpyridine
CID 130138752
4-bromo-5-fluoro-2-propan-2-ylpyridine
CID 130153353
4-bromo-2-methyl-6-propan-2-ylpyridine
CID 91619872
2,3-difluoro-5-propan-2-ylpyrazine
CID 163298620
2-(2-bromo-4-fluorophenoxy)-4-methyl-6-propan-2-ylpyrimidine
CID 113491450
2,4-dibromo-6-propan-2-ylpyridine
CID 66520791
2,3,4-trimethyl-6-propan-2-ylpyridine
CID 20745705
3-bromo-2-methyl-5-propan-2-ylpyrazine
CID 118329292
1-bromo-3-fluoro-2,5-dimethylbenzene
CID 20799393
[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanamine
CID 118814262
2-chloro-3,4-dimethyl-6-propan-2-ylpyridine
CID 135139211
2-(5-bromo-2-methylphenoxy)-4-methyl-6-propan-2-ylpyrimidine
CID 107284442

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-3-methyl-6-propan-2-ylpyridine?
The IUPAC name of 4-bromo-2-fluoro-3-methyl-6-propan-2-ylpyridine (CID 153298968) is 4-bromo-2-fluoro-3-methyl-6-propan-2-ylpyridine.
What is the SMILES notation for 4-bromo-2-fluoro-3-methyl-6-propan-2-ylpyridine?
The canonical SMILES for 4-bromo-2-fluoro-3-methyl-6-propan-2-ylpyridine is Cc1c(Br)cc(C(C)C)nc1F.
What is the InChIKey of 4-bromo-2-fluoro-3-methyl-6-propan-2-ylpyridine?
The InChIKey is WDYMJDKMAQSHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFN/c1-5(2)8-4-7(10)6(3)9(11)12-8/h4-5H,1-3H3.
What are the key properties of 4-bromo-2-fluoro-3-methyl-6-propan-2-ylpyridine?
4-bromo-2-fluoro-3-methyl-6-propan-2-ylpyridine has a molecular weight of 232.10 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-3-methyl-6-propan-2-ylpyridine is sourced from PubChem (CID 153298968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).