1-(5-fluoro-3-pyridinyl)-3-propoxypropan-1-ol

C11H16FNO2 — CID 105080397

IUPAC1-(5-fluoro-3-pyridinyl)-3-propoxypropan-1-ol
SMILESCCCOCCC(O)c1cncc(F)c1
InChIInChI=1S/C11H16FNO2/c1-2-4-15-5-3-11(14)9-6-10(12)8-13-7-9/h6-8,11,14H,2-5H2,1H3
InChIKeyXCOCDSMQICWSMJ-UHFFFAOYSA-N
MW213.25 g/mol
LogP2.07
Rot. Bonds6

About 1-(5-fluoro-3-pyridinyl)-3-propoxypropan-1-ol

1-(5-fluoro-3-pyridinyl)-3-propoxypropan-1-ol (PubChem CID 105080397) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-3-propoxypropan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-3-propoxypropan-1-ol
PubChem CID105080397
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name1-(5-fluoro-3-pyridinyl)-3-propoxypropan-1-ol
SMILESCCCOCCC(O)c1cncc(F)c1
InChIInChI=1S/C11H16FNO2/c1-2-4-15-5-3-11(14)9-6-10(12)8-13-7-9/h6-8,11,14H,2-5H2,1H3
InChIKeyXCOCDSMQICWSMJ-UHFFFAOYSA-N
XLogP2.07
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-ol
CID 66047072
1-(5-fluoro-3-pyridinyl)-3-methylidenepentan-1-ol
CID 105110755
1-(5-methyl-3-pyridinyl)-2-propoxyethanol
CID 115374102
1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine
CID 105173870
4-ethoxy-1-(5-propoxy-3-pyridinyl)butan-1-ol
CID 105121586
1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-propoxypropan-1-ol
CID 107292089
1-(3-methylphenyl)-3-propoxypropan-1-ol
CID 105077821
1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanol
CID 62551931
3-(2-methoxyethoxy)-1-pyrimidin-5-ylpropan-1-ol
CID 102927713
1-(5-fluoro-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 105080417
(5-fluoro-3-pyridinyl)-(4-propoxyphenyl)methanamine
CID 105144279
[1-(5-fluoro-3-pyridinyl)-3-methoxypropyl]hydrazine
CID 105206466

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-3-propoxypropan-1-ol?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-3-propoxypropan-1-ol (CID 105080397) is 1-(5-fluoro-3-pyridinyl)-3-propoxypropan-1-ol.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-3-propoxypropan-1-ol?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-3-propoxypropan-1-ol is CCCOCCC(O)c1cncc(F)c1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-3-propoxypropan-1-ol?
The InChIKey is XCOCDSMQICWSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-2-4-15-5-3-11(14)9-6-10(12)8-13-7-9/h6-8,11,14H,2-5H2,1H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-3-propoxypropan-1-ol?
1-(5-fluoro-3-pyridinyl)-3-propoxypropan-1-ol has a molecular weight of 213.25 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-3-propoxypropan-1-ol is sourced from PubChem (CID 105080397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).