(1R)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]ethanol

C14H14N2O4 — CID 83125617

IUPAC(1R)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]ethanol
SMILESCc1c(Oc2ccc([C@@H](C)O)nc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H14N2O4/c1-9-13(16(18)19)4-3-5-14(9)20-11-6-7-12(10(2)17)15-8-11/h3-8,10,17H,1-2H3/t10-/m1/s1
InChIKeyDLWFWFGRSBCJGI-SNVBAGLBSA-N
MW274.28 g/mol
LogP3.14
Rot. Bonds4

About (1R)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]ethanol

(1R)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]ethanol (PubChem CID 83125617) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is (1R)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]ethanol
PubChem CID83125617
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name(1R)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]ethanol
SMILESCc1c(Oc2ccc([C@@H](C)O)nc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H14N2O4/c1-9-13(16(18)19)4-3-5-14(9)20-11-6-7-12(10(2)17)15-8-11/h3-8,10,17H,1-2H3/t10-/m1/s1
InChIKeyDLWFWFGRSBCJGI-SNVBAGLBSA-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

(1S)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 103939202
2-methyl-5-(2-methyl-3-nitrophenoxy)pyridine
CID 69456314
1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124582
(1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124972
1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 102702826
(1S)-1-[5-(5-chloro-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124657
(1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125211
(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83109459
1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125212
1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940584
(1S)-1-[5-(2-methoxyphenoxy)-2-pyridinyl]ethanol
CID 83124880
1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83123552

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]ethanol (CID 83125617) is (1R)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]ethanol is Cc1c(Oc2ccc([C@@H](C)O)nc2)cccc1[N+](=O)[O-].
What is the InChIKey of (1R)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]ethanol?
The InChIKey is DLWFWFGRSBCJGI-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-13(16(18)19)4-3-5-14(9)20-11-6-7-12(10(2)17)15-8-11/h3-8,10,17H,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]ethanol?
(1R)-1-[5-(2-methyl-3-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 (1R)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]ethanol is sourced from PubChem (CID 83125617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).