1-(3-fluoro-4-pyridinyl)-3-methoxypropan-1-ol

C9H12FNO2 — CID 104737985

IUPAC1-(3-fluoro-4-pyridinyl)-3-methoxypropan-1-ol
SMILESCOCCC(O)c1ccncc1F
InChIInChI=1S/C9H12FNO2/c1-13-5-3-9(12)7-2-4-11-6-8(7)10/h2,4,6,9,12H,3,5H2,1H3
InChIKeyJMBDCGULLUTISP-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.29
Rot. Bonds4

About 1-(3-fluoro-4-pyridinyl)-3-methoxypropan-1-ol

1-(3-fluoro-4-pyridinyl)-3-methoxypropan-1-ol (PubChem CID 104737985) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-3-methoxypropan-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-3-methoxypropan-1-ol
PubChem CID104737985
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name1-(3-fluoro-4-pyridinyl)-3-methoxypropan-1-ol
SMILESCOCCC(O)c1ccncc1F
InChIInChI=1S/C9H12FNO2/c1-13-5-3-9(12)7-2-4-11-6-8(7)10/h2,4,6,9,12H,3,5H2,1H3
InChIKeyJMBDCGULLUTISP-UHFFFAOYSA-N
XLogP1.29
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-pyridinyl)-2-(2-methoxyethylamino)ethanol
CID 104739344
1-(3-fluoro-4-pyridinyl)-3-methoxy-N-methylpropan-1-amine
CID 104738162
1-(3-fluoro-4-pyridinyl)-3-methoxy-3-methylbutan-1-ol
CID 103027695
[1-(3-fluoro-4-pyridinyl)-3-(2-methoxyethoxy)propyl]hydrazine
CID 102930056
1-(3-fluoro-4-pyridinyl)-2-methylsulfonylethanol
CID 115834015
1-(4-amino-3-pyridinyl)-4-methoxybutan-1-ol
CID 65092313
1-(3-fluoro-4-pyridinyl)-4-methoxy-N-propylbutan-1-amine
CID 113447246
1-(3-fluoro-4-pyridinyl)-3-(furan-2-yl)propan-1-ol
CID 105126839
2-(1,4-dimethylpiperazin-2-yl)-1-(3-fluoro-4-pyridinyl)ethanol
CID 104738104
3-methoxy-1-pyrazin-2-ylpropan-1-ol
CID 62608017
1-(3-fluoro-4-pyridinyl)butane-1,2-diol
CID 103454633
2-(3-fluoro-4-pyridinyl)propan-1-amine
CID 84649949

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-methoxypropan-1-ol?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-methoxypropan-1-ol (CID 104737985) is 1-(3-fluoro-4-pyridinyl)-3-methoxypropan-1-ol.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-3-methoxypropan-1-ol?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-3-methoxypropan-1-ol is COCCC(O)c1ccncc1F.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-3-methoxypropan-1-ol?
The InChIKey is JMBDCGULLUTISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-13-5-3-9(12)7-2-4-11-6-8(7)10/h2,4,6,9,12H,3,5H2,1H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-3-methoxypropan-1-ol?
1-(3-fluoro-4-pyridinyl)-3-methoxypropan-1-ol has a molecular weight of 185.20 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-3-methoxypropan-1-ol is sourced from PubChem (CID 104737985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).