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

C14H14N2O5 — CID 83109459

IUPAC(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol
SMILESCOc1cc([N+](=O)[O-])ccc1Oc1ccc([C@H](C)O)nc1
InChIInChI=1S/C14H14N2O5/c1-9(17)12-5-4-11(8-15-12)21-13-6-3-10(16(18)19)7-14(13)20-2/h3-9,17H,1-2H3/t9-/m0/s1
InChIKeySXRVXERGMSYQBZ-VIFPVBQESA-N
MW290.28 g/mol
LogP2.84
Rot. Bonds5

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

(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol (PubChem CID 83109459) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is (1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol
PubChem CID83109459
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol
SMILESCOc1cc([N+](=O)[O-])ccc1Oc1ccc([C@H](C)O)nc1
InChIInChI=1S/C14H14N2O5/c1-9(17)12-5-4-11(8-15-12)21-13-6-3-10(16(18)19)7-14(13)20-2/h3-9,17H,1-2H3/t9-/m0/s1
InChIKeySXRVXERGMSYQBZ-VIFPVBQESA-N
XLogP2.84
TPSA94.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83109960
1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125212
(1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125211
1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 102702826
1-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-pyridinyl]ethanol
CID 107743552
1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124582
(1S)-1-[5-(2-methoxyphenoxy)-2-pyridinyl]ethanol
CID 83124880
(1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124972
(1S)-1-[5-(5-chloro-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124657
(1R)-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83124262
N-methyl-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83110470
(1R)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125617

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol (CID 83109459) is (1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol is COc1cc([N+](=O)[O-])ccc1Oc1ccc([C@H](C)O)nc1.
What is the InChIKey of (1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol?
The InChIKey is SXRVXERGMSYQBZ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14N2O5/c1-9(17)12-5-4-11(8-15-12)21-13-6-3-10(16(18)19)7-14(13)20-2/h3-9,17H,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol?
(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol has a molecular weight of 290.28 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol is sourced from PubChem (CID 83109459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).