1-[5-(3-fluoro-4-nitrophenoxy)-2-pyridinyl]propan-1-ol

C14H13FN2O4 — CID 115940569

IUPAC1-[5-(3-fluoro-4-nitrophenoxy)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(Oc2ccc([N+](=O)[O-])c(F)c2)cn1
InChIInChI=1S/C14H13FN2O4/c1-2-14(18)12-5-3-10(8-16-12)21-9-4-6-13(17(19)20)11(15)7-9/h3-8,14,18H,2H2,1H3
InChIKeyHIHTZAOOWMRYDX-UHFFFAOYSA-N
MW292.27 g/mol
LogP3.36
Rot. Bonds5

About 1-[5-(3-fluoro-4-nitrophenoxy)-2-pyridinyl]propan-1-ol

1-[5-(3-fluoro-4-nitrophenoxy)-2-pyridinyl]propan-1-ol (PubChem CID 115940569) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is 1-[5-(3-fluoro-4-nitrophenoxy)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(3-fluoro-4-nitrophenoxy)-2-pyridinyl]propan-1-ol
PubChem CID115940569
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Name1-[5-(3-fluoro-4-nitrophenoxy)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(Oc2ccc([N+](=O)[O-])c(F)c2)cn1
InChIInChI=1S/C14H13FN2O4/c1-2-14(18)12-5-3-10(8-16-12)21-9-4-6-13(17(19)20)11(15)7-9/h3-8,14,18H,2H2,1H3
InChIKeyHIHTZAOOWMRYDX-UHFFFAOYSA-N
XLogP3.36
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940555
2-fluoro-4-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]oxy]benzonitrile
CID 103939277
1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940567
(1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 103588918
(1R)-1-[5-(4-fluoro-3-methylphenoxy)-2-pyridinyl]propan-1-ol
CID 103939285
(1S)-1-[2-(3-fluoro-4-nitrophenoxy)phenyl]propan-1-ol
CID 103960599
1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940584
(1S)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 103939202
1-[5-(2-chloro-6-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 107717322
(1S)-1-[5-(5-chloro-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124657
1-[5-(2,3-difluorophenoxy)-2-pyridinyl]propan-1-ol
CID 112585589
1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 112585568

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluoro-4-nitrophenoxy)-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-(3-fluoro-4-nitrophenoxy)-2-pyridinyl]propan-1-ol (CID 115940569) is 1-[5-(3-fluoro-4-nitrophenoxy)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-(3-fluoro-4-nitrophenoxy)-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-(3-fluoro-4-nitrophenoxy)-2-pyridinyl]propan-1-ol is CCC(O)c1ccc(Oc2ccc([N+](=O)[O-])c(F)c2)cn1.
What is the InChIKey of 1-[5-(3-fluoro-4-nitrophenoxy)-2-pyridinyl]propan-1-ol?
The InChIKey is HIHTZAOOWMRYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4/c1-2-14(18)12-5-3-10(8-16-12)21-9-4-6-13(17(19)20)11(15)7-9/h3-8,14,18H,2H2,1H3.
What are the key properties of 1-[5-(3-fluoro-4-nitrophenoxy)-2-pyridinyl]propan-1-ol?
1-[5-(3-fluoro-4-nitrophenoxy)-2-pyridinyl]propan-1-ol has a molecular weight of 292.27 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluoro-4-nitrophenoxy)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 115940569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).