3-fluoro-4-(6-methoxy-1,3-benzodioxol-5-yl)pyridine

C13H10FNO3 — CID 163311853

IUPAC3-fluoro-4-(6-methoxy-1,3-benzodioxol-5-yl)pyridine
SMILESCOc1cc2c(cc1-c1ccncc1F)OCO2
InChIInChI=1S/C13H10FNO3/c1-16-11-5-13-12(17-7-18-13)4-9(11)8-2-3-15-6-10(8)14/h2-6H,7H2,1H3
InChIKeyUQUJYBYQHFEXGL-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.62
Rot. Bonds2

About 3-fluoro-4-(6-methoxy-1,3-benzodioxol-5-yl)pyridine

3-fluoro-4-(6-methoxy-1,3-benzodioxol-5-yl)pyridine (PubChem CID 163311853) has the molecular formula C13H10FNO3 and a molecular weight of 247.22 g/mol. Its IUPAC name is 3-fluoro-4-(6-methoxy-1,3-benzodioxol-5-yl)pyridine.

Molecular Properties

Compound Name3-fluoro-4-(6-methoxy-1,3-benzodioxol-5-yl)pyridine
PubChem CID163311853
Molecular FormulaC13H10FNO3
Molecular Weight247.22 g/mol
Exact Mass247.06
IUPAC Name3-fluoro-4-(6-methoxy-1,3-benzodioxol-5-yl)pyridine
SMILESCOc1cc2c(cc1-c1ccncc1F)OCO2
InChIInChI=1S/C13H10FNO3/c1-16-11-5-13-12(17-7-18-13)4-9(11)8-2-3-15-6-10(8)14/h2-6H,7H2,1H3
InChIKeyUQUJYBYQHFEXGL-UHFFFAOYSA-N
XLogP2.62
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-methoxy-1,3-benzodioxol-5-yl)pyridin-4-amine
CID 162632386
[2-(3-fluoro-4-pyridinyl)-4,5-dimethoxyphenyl]methanamine
CID 104738859
5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole
CID 162636292
5-(6-methoxy-1,3-benzodioxol-5-yl)pyrimidin-2-amine
CID 163307237
6-fluoro-3-(6-methoxy-1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine
CID 157017620
3-fluoro-4-(3-fluoro-5-methoxyphenyl)pyridine
CID 165479125
5-(6-methoxy-1,3-benzodioxol-5-yl)-3-methyl-1H-pyridazin-6-one
CID 157011122
2-(6-methoxy-1,3-benzodioxol-5-yl)-1-propan-2-ylimidazole
CID 162638690
6-(6-methoxy-1,3-benzodioxol-5-yl)-N,N-dimethylpyrazine-2-carboxamide
CID 162625904
5-methoxy-6-methylsulfanyl-1,3-benzodioxole
CID 123594562
2-(6-methoxy-1,3-benzodioxol-5-yl)-7-methylpurine
CID 157013233
5-(6-methoxy-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-amine
CID 163306861

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(6-methoxy-1,3-benzodioxol-5-yl)pyridine?
The IUPAC name of 3-fluoro-4-(6-methoxy-1,3-benzodioxol-5-yl)pyridine (CID 163311853) is 3-fluoro-4-(6-methoxy-1,3-benzodioxol-5-yl)pyridine.
What is the SMILES notation for 3-fluoro-4-(6-methoxy-1,3-benzodioxol-5-yl)pyridine?
The canonical SMILES for 3-fluoro-4-(6-methoxy-1,3-benzodioxol-5-yl)pyridine is COc1cc2c(cc1-c1ccncc1F)OCO2.
What is the InChIKey of 3-fluoro-4-(6-methoxy-1,3-benzodioxol-5-yl)pyridine?
The InChIKey is UQUJYBYQHFEXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-16-11-5-13-12(17-7-18-13)4-9(11)8-2-3-15-6-10(8)14/h2-6H,7H2,1H3.
What are the key properties of 3-fluoro-4-(6-methoxy-1,3-benzodioxol-5-yl)pyridine?
3-fluoro-4-(6-methoxy-1,3-benzodioxol-5-yl)pyridine has a molecular weight of 247.22 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(6-methoxy-1,3-benzodioxol-5-yl)pyridine is sourced from PubChem (CID 163311853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).