2,3,6-trifluoro-4,5-dimethylpyridine

C7H6F3N — CID 20792086

IUPAC2,3,6-trifluoro-4,5-dimethylpyridine
SMILESCc1c(F)nc(F)c(F)c1C
InChIInChI=1S/C7H6F3N/c1-3-4(2)6(9)11-7(10)5(3)8/h1-2H3
InChIKeyCBKKFRSZGFGLTJ-UHFFFAOYSA-N
MW161.13 g/mol
LogP2.12
Rot. Bonds

About 2,3,6-trifluoro-4,5-dimethylpyridine

2,3,6-trifluoro-4,5-dimethylpyridine (PubChem CID 20792086) has the molecular formula C7H6F3N and a molecular weight of 161.13 g/mol. Its IUPAC name is 2,3,6-trifluoro-4,5-dimethylpyridine.

Molecular Properties

Compound Name2,3,6-trifluoro-4,5-dimethylpyridine
PubChem CID20792086
Molecular FormulaC7H6F3N
Molecular Weight161.13 g/mol
Exact Mass161.05
IUPAC Name2,3,6-trifluoro-4,5-dimethylpyridine
SMILESCc1c(F)nc(F)c(F)c1C
InChIInChI=1S/C7H6F3N/c1-3-4(2)6(9)11-7(10)5(3)8/h1-2H3
InChIKeyCBKKFRSZGFGLTJ-UHFFFAOYSA-N
XLogP2.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.13
LogP ≤ 52.12
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

ethane;2,3,4,6-tetrafluoro-5-methylpyridine
CID 170619957
4,5-difluoro-2,6-dimethylpyrimidine
CID 122695499
2,3,4,5-tetrafluoro-6-methylpyridine
CID 15388342
3,5-dichloro-2,6-difluoro-4-methylpyridine
CID 54345490
4-tert-butyl-2,3,5,6-tetrafluoropyridine
CID 59773413
N-(2,6-difluoro-3-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
CID 82820207
N-(5-bromo-4-fluoro-2-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
CID 107593334
1,2,4,5-tetrafluoro-3,6-dimethylbenzene
CID 160870042
2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-pyridinyl)tellanyl]pyridine
CID 139100618
(1R)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine
CID 55275978
1-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine
CID 55296697
4-chloro-2,6-difluoro-5-methylpyrimidine
CID 18981191

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trifluoro-4,5-dimethylpyridine?
The IUPAC name of 2,3,6-trifluoro-4,5-dimethylpyridine (CID 20792086) is 2,3,6-trifluoro-4,5-dimethylpyridine.
What is the SMILES notation for 2,3,6-trifluoro-4,5-dimethylpyridine?
The canonical SMILES for 2,3,6-trifluoro-4,5-dimethylpyridine is Cc1c(F)nc(F)c(F)c1C.
What is the InChIKey of 2,3,6-trifluoro-4,5-dimethylpyridine?
The InChIKey is CBKKFRSZGFGLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N/c1-3-4(2)6(9)11-7(10)5(3)8/h1-2H3.
What are the key properties of 2,3,6-trifluoro-4,5-dimethylpyridine?
2,3,6-trifluoro-4,5-dimethylpyridine has a molecular weight of 161.13 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trifluoro-4,5-dimethylpyridine is sourced from PubChem (CID 20792086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).