1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]ethanol

C14H14N2O4 — CID 83124582

IUPAC1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]ethanol
SMILESCc1ccc(Oc2ccc(C(C)O)nc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H14N2O4/c1-9-3-6-14(13(7-9)16(18)19)20-11-4-5-12(10(2)17)15-8-11/h3-8,10,17H,1-2H3
InChIKeyMPHRNHGMCJTLCU-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.14
Rot. Bonds4

About 1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]ethanol

1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]ethanol (PubChem CID 83124582) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]ethanol
PubChem CID83124582
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]ethanol
SMILESCc1ccc(Oc2ccc(C(C)O)nc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H14N2O4/c1-9-3-6-14(13(7-9)16(18)19)20-11-4-5-12(10(2)17)15-8-11/h3-8,10,17H,1-2H3
InChIKeyMPHRNHGMCJTLCU-UHFFFAOYSA-N
XLogP3.14
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.14
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-methyl-2-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940567
(1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124972
(1R)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125617
1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 102702826
(1S)-1-[5-(5-chloro-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124657
(1S)-1-[5-(2,4-dimethylphenoxy)-2-pyridinyl]ethanol
CID 83125032
1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125212
(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83109459
1-[4-(4-methylphenoxy)-3-nitrophenyl]ethanol
CID 43506318
(1R)-1-[5-(4-ethyl-2-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83111625
(1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125211
4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]ethanol?
The IUPAC name of 1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]ethanol (CID 83124582) is 1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]ethanol?
The canonical SMILES for 1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]ethanol is Cc1ccc(Oc2ccc(C(C)O)nc2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]ethanol?
The InChIKey is MPHRNHGMCJTLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-3-6-14(13(7-9)16(18)19)20-11-4-5-12(10(2)17)15-8-11/h3-8,10,17H,1-2H3.
What are the key properties of 1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]ethanol?
1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]ethanol has a molecular weight of 274.28 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]ethanol is sourced from PubChem (CID 83124582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).