3-(3-fluorophenyl)-4,5-dimethoxypyridine

C13H12FNO2 — CID 174673027

IUPAC3-(3-fluorophenyl)-4,5-dimethoxypyridine
SMILESCOc1cncc(-c2cccc(F)c2)c1OC
InChIInChI=1S/C13H12FNO2/c1-16-12-8-15-7-11(13(12)17-2)9-4-3-5-10(14)6-9/h3-8H,1-2H3
InChIKeyZSBBNUJWAYQBGF-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.90
Rot. Bonds3

About 3-(3-fluorophenyl)-4,5-dimethoxypyridine

3-(3-fluorophenyl)-4,5-dimethoxypyridine (PubChem CID 174673027) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4,5-dimethoxypyridine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4,5-dimethoxypyridine
PubChem CID174673027
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name3-(3-fluorophenyl)-4,5-dimethoxypyridine
SMILESCOc1cncc(-c2cccc(F)c2)c1OC
InChIInChI=1S/C13H12FNO2/c1-16-12-8-15-7-11(13(12)17-2)9-4-3-5-10(14)6-9/h3-8H,1-2H3
InChIKeyZSBBNUJWAYQBGF-UHFFFAOYSA-N
XLogP2.90
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene
CID 175734991
3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene
CID 118149747
4-(3-fluorophenyl)-3-methoxyaniline
CID 82106976
3,4-bis(3-fluorophenyl)pyridine
CID 46313677
3,5-bis[3-(3-fluorophenyl)phenyl]pyridine
CID 144604637
4-(3-fluorophenyl)-2-methoxy-5-methylaniline
CID 171037302
3-fluoro-5-(4-fluorophenyl)-4-methoxypyridine
CID 46312570
3-(3-fluorophenyl)-6,7-dimethoxy-1H-quinolin-2-one
CID 176902560
3-(3-fluorophenyl)-4-methoxybenzoic acid
CID 39349091
1-[3-(3-fluorophenyl)-4-methoxyphenyl]ethanone
CID 82541241
[5-(3-fluorophenyl)-2,3-dimethoxyphenyl]methanamine
CID 82106998
1-(2,5-difluorophenyl)-2,3-dimethoxybenzene
CID 165476912

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-4,5-dimethoxypyridine?
The IUPAC name of 3-(3-fluorophenyl)-4,5-dimethoxypyridine (CID 174673027) is 3-(3-fluorophenyl)-4,5-dimethoxypyridine.
What is the SMILES notation for 3-(3-fluorophenyl)-4,5-dimethoxypyridine?
The canonical SMILES for 3-(3-fluorophenyl)-4,5-dimethoxypyridine is COc1cncc(-c2cccc(F)c2)c1OC.
What is the InChIKey of 3-(3-fluorophenyl)-4,5-dimethoxypyridine?
The InChIKey is ZSBBNUJWAYQBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c1-16-12-8-15-7-11(13(12)17-2)9-4-3-5-10(14)6-9/h3-8H,1-2H3.
What are the key properties of 3-(3-fluorophenyl)-4,5-dimethoxypyridine?
3-(3-fluorophenyl)-4,5-dimethoxypyridine has a molecular weight of 233.24 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4,5-dimethoxypyridine is sourced from PubChem (CID 174673027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).