1-[2-[(3-methyl-2-pyridinyl)methoxy]-5-nitrophenyl]ethanol

C15H16N2O4 — CID 116541889

IUPAC1-[2-[(3-methyl-2-pyridinyl)methoxy]-5-nitrophenyl]ethanol
SMILESCc1cccnc1COc1ccc([N+](=O)[O-])cc1C(C)O
InChIInChI=1S/C15H16N2O4/c1-10-4-3-7-16-14(10)9-21-15-6-5-12(17(19)20)8-13(15)11(2)18/h3-8,11,18H,9H2,1-2H3
InChIKeyMHUHMXNPKWSBEQ-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.93
Rot. Bonds5

About 1-[2-[(3-methyl-2-pyridinyl)methoxy]-5-nitrophenyl]ethanol

1-[2-[(3-methyl-2-pyridinyl)methoxy]-5-nitrophenyl]ethanol (PubChem CID 116541889) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-[2-[(3-methyl-2-pyridinyl)methoxy]-5-nitrophenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(3-methyl-2-pyridinyl)methoxy]-5-nitrophenyl]ethanol
PubChem CID116541889
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-[2-[(3-methyl-2-pyridinyl)methoxy]-5-nitrophenyl]ethanol
SMILESCc1cccnc1COc1ccc([N+](=O)[O-])cc1C(C)O
InChIInChI=1S/C15H16N2O4/c1-10-4-3-7-16-14(10)9-21-15-6-5-12(17(19)20)8-13(15)11(2)18/h3-8,11,18H,9H2,1-2H3
InChIKeyMHUHMXNPKWSBEQ-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
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'}

Analyze 1-[2-[(3-methyl-2-pyridinyl)methoxy]-5-nitrophenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 112650650
1-[5-chloro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 112650649
1-(2-ethoxy-5-nitrophenyl)ethanol
CID 116541848
(1R)-1-[2-[(6-methyl-2-pyridinyl)methoxy]-5-nitrophenyl]ethanol
CID 104890158
(1R)-1-[5-nitro-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 104890213
1-[5-nitro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 116541977
1-[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-5-nitrophenyl]ethanol
CID 116541882
(1S)-1-[2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-5-nitrophenyl]ethanol
CID 104890302
(1R)-1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]ethanol
CID 104890071
(1S)-1-[2-[(5-chlorothiophen-2-yl)methoxy]-5-nitrophenyl]ethanol
CID 104890274
2-[2-(1-hydroxyethyl)-4-nitrophenoxy]acetonitrile
CID 116542044
(1R)-1-[2-(2-fluoroethoxy)-5-nitrophenyl]ethanol
CID 104890135

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methyl-2-pyridinyl)methoxy]-5-nitrophenyl]ethanol?
The IUPAC name of 1-[2-[(3-methyl-2-pyridinyl)methoxy]-5-nitrophenyl]ethanol (CID 116541889) is 1-[2-[(3-methyl-2-pyridinyl)methoxy]-5-nitrophenyl]ethanol.
What is the SMILES notation for 1-[2-[(3-methyl-2-pyridinyl)methoxy]-5-nitrophenyl]ethanol?
The canonical SMILES for 1-[2-[(3-methyl-2-pyridinyl)methoxy]-5-nitrophenyl]ethanol is Cc1cccnc1COc1ccc([N+](=O)[O-])cc1C(C)O.
What is the InChIKey of 1-[2-[(3-methyl-2-pyridinyl)methoxy]-5-nitrophenyl]ethanol?
The InChIKey is MHUHMXNPKWSBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10-4-3-7-16-14(10)9-21-15-6-5-12(17(19)20)8-13(15)11(2)18/h3-8,11,18H,9H2,1-2H3.
What are the key properties of 1-[2-[(3-methyl-2-pyridinyl)methoxy]-5-nitrophenyl]ethanol?
1-[2-[(3-methyl-2-pyridinyl)methoxy]-5-nitrophenyl]ethanol has a molecular weight of 288.30 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methyl-2-pyridinyl)methoxy]-5-nitrophenyl]ethanol is sourced from PubChem (CID 116541889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).