3-(5-fluoro-2-methoxy-4-methylphenyl)pyridine

C13H12FNO — CID 158694980

IUPAC3-(5-fluoro-2-methoxy-4-methylphenyl)pyridine
SMILESCOc1cc(C)c(F)cc1-c1cccnc1
InChIInChI=1S/C13H12FNO/c1-9-6-13(16-2)11(7-12(9)14)10-4-3-5-15-8-10/h3-8H,1-2H3
InChIKeyKGVQDCDKGCZHFQ-UHFFFAOYSA-N
MW217.24 g/mol
LogP3.20
Rot. Bonds2

About 3-(5-fluoro-2-methoxy-4-methylphenyl)pyridine

3-(5-fluoro-2-methoxy-4-methylphenyl)pyridine (PubChem CID 158694980) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxy-4-methylphenyl)pyridine.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxy-4-methylphenyl)pyridine
PubChem CID158694980
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name3-(5-fluoro-2-methoxy-4-methylphenyl)pyridine
SMILESCOc1cc(C)c(F)cc1-c1cccnc1
InChIInChI=1S/C13H12FNO/c1-9-6-13(16-2)11(7-12(9)14)10-4-3-5-15-8-10/h3-8H,1-2H3
InChIKeyKGVQDCDKGCZHFQ-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine
CID 46316767
3-(2,5-dimethoxy-4-pyridin-3-ylphenyl)pyridine
CID 156631933
3-(2,5-difluoro-4-methylphenyl)pyridine
CID 143759776
3-(5-ethoxy-2-methoxy-4-methylphenyl)pyridine
CID 159955267
3-(2,4-dimethoxyphenyl)pyridine
CID 46316965
3-(2-methoxyphenyl)pyridine
CID 4133297
3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine
CID 46317325
2-chloro-4-methoxy-5-pyridin-3-ylpyridine
CID 175166261
3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097
6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide
CID 90286161
4,5-dimethyl-2-pyridin-3-ylphenol
CID 11542953
methyl 4,5-difluoro-2-pyridin-3-ylbenzoate
CID 46317415

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxy-4-methylphenyl)pyridine?
The IUPAC name of 3-(5-fluoro-2-methoxy-4-methylphenyl)pyridine (CID 158694980) is 3-(5-fluoro-2-methoxy-4-methylphenyl)pyridine.
What is the SMILES notation for 3-(5-fluoro-2-methoxy-4-methylphenyl)pyridine?
The canonical SMILES for 3-(5-fluoro-2-methoxy-4-methylphenyl)pyridine is COc1cc(C)c(F)cc1-c1cccnc1.
What is the InChIKey of 3-(5-fluoro-2-methoxy-4-methylphenyl)pyridine?
The InChIKey is KGVQDCDKGCZHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c1-9-6-13(16-2)11(7-12(9)14)10-4-3-5-15-8-10/h3-8H,1-2H3.
What are the key properties of 3-(5-fluoro-2-methoxy-4-methylphenyl)pyridine?
3-(5-fluoro-2-methoxy-4-methylphenyl)pyridine has a molecular weight of 217.24 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methoxy-4-methylphenyl)pyridine is sourced from PubChem (CID 158694980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).