1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-ol

C15H16N2O4 — CID 115940584

IUPAC1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(Oc2c(C)cccc2[N+](=O)[O-])cn1
InChIInChI=1S/C15H16N2O4/c1-3-14(18)12-8-7-11(9-16-12)21-15-10(2)5-4-6-13(15)17(19)20/h4-9,14,18H,3H2,1-2H3
InChIKeyZDCFIDUTPSMNPF-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.53
Rot. Bonds5

About 1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-ol

1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-ol (PubChem CID 115940584) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-ol
PubChem CID115940584
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(Oc2c(C)cccc2[N+](=O)[O-])cn1
InChIInChI=1S/C15H16N2O4/c1-3-14(18)12-8-7-11(9-16-12)21-15-10(2)5-4-6-13(15)17(19)20/h4-9,14,18H,3H2,1-2H3
InChIKeyZDCFIDUTPSMNPF-UHFFFAOYSA-N
XLogP3.53
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.53
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-(2-chloro-6-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 107717322
(1S)-1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-amine
CID 103938047
(1S)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 103939202
1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83123552
1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940567
1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940555
1-[5-(3-fluoro-4-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940569
1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]propan-1-ol
CID 115940525
(1R)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125617
1-[5-(2-fluoro-6-nitrophenoxy)-2-pyridinyl]ethanamine
CID 104831856
2-[4-(2-methyl-6-nitrophenoxy)phenyl]ethanol
CID 107709663
(1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 103588918

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-ol (CID 115940584) is 1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-ol is CCC(O)c1ccc(Oc2c(C)cccc2[N+](=O)[O-])cn1.
What is the InChIKey of 1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-ol?
The InChIKey is ZDCFIDUTPSMNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-3-14(18)12-8-7-11(9-16-12)21-15-10(2)5-4-6-13(15)17(19)20/h4-9,14,18H,3H2,1-2H3.
What are the key properties of 1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-ol?
1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-ol has a molecular weight of 288.30 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 115940584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).