2-(2,5-dimethylphenoxy)-6-fluoropyridine

C13H12FNO — CID 61227420

IUPAC2-(2,5-dimethylphenoxy)-6-fluoropyridine
SMILESCc1ccc(C)c(Oc2cccc(F)n2)c1
InChIInChI=1S/C13H12FNO/c1-9-6-7-10(2)11(8-9)16-13-5-3-4-12(14)15-13/h3-8H,1-2H3
InChIKeyUXKGTLYBDMMQDN-UHFFFAOYSA-N
MW217.24 g/mol
LogP3.63
Rot. Bonds2

About 2-(2,5-dimethylphenoxy)-6-fluoropyridine

2-(2,5-dimethylphenoxy)-6-fluoropyridine (PubChem CID 61227420) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-6-fluoropyridine.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-6-fluoropyridine
PubChem CID61227420
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name2-(2,5-dimethylphenoxy)-6-fluoropyridine
SMILESCc1ccc(C)c(Oc2cccc(F)n2)c1
InChIInChI=1S/C13H12FNO/c1-9-6-7-10(2)11(8-9)16-13-5-3-4-12(14)15-13/h3-8H,1-2H3
InChIKeyUXKGTLYBDMMQDN-UHFFFAOYSA-N
XLogP3.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-(2-methoxy-4-methylphenoxy)pyridine
CID 59191403
4-(2,5-dimethylphenoxy)-6-fluoropyrimidin-2-amine
CID 695400
2-bromo-6-(2-fluoro-5-methylphenoxy)pyridine
CID 64856365
N-[[6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62296086
4-(2,5-dimethylphenoxy)pyrimidin-2-amine
CID 80864136
2-(4-bromo-2-chlorophenoxy)-6-fluoropyridine
CID 61229160
4-chloro-6-(2,5-dimethylphenoxy)pyrimidine
CID 60706529
2-(2,5-dimethylphenoxy)-6-fluoroaniline
CID 54920394
2-(5-bromo-2-fluorophenoxy)-6-fluoropyridine
CID 114672244
1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene
CID 19792455
6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774078
6-(2,4-dimethylphenoxy)-N-methylpyridin-2-amine
CID 80863130

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-6-fluoropyridine?
The IUPAC name of 2-(2,5-dimethylphenoxy)-6-fluoropyridine (CID 61227420) is 2-(2,5-dimethylphenoxy)-6-fluoropyridine.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-6-fluoropyridine?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-6-fluoropyridine is Cc1ccc(C)c(Oc2cccc(F)n2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-6-fluoropyridine?
The InChIKey is UXKGTLYBDMMQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c1-9-6-7-10(2)11(8-9)16-13-5-3-4-12(14)15-13/h3-8H,1-2H3.
What are the key properties of 2-(2,5-dimethylphenoxy)-6-fluoropyridine?
2-(2,5-dimethylphenoxy)-6-fluoropyridine has a molecular weight of 217.24 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-6-fluoropyridine is sourced from PubChem (CID 61227420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).