2-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]phenyl]ethanol

C14H14N2O4 — CID 107713600

IUPAC2-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]phenyl]ethanol
SMILESCc1ccnc(Oc2ccccc2CCO)c1[N+](=O)[O-]
InChIInChI=1S/C14H14N2O4/c1-10-6-8-15-14(13(10)16(18)19)20-12-5-3-2-4-11(12)7-9-17/h2-6,8,17H,7,9H2,1H3
InChIKeyLHJRPJCZZWDFIS-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.63
Rot. Bonds5

About 2-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]phenyl]ethanol

2-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]phenyl]ethanol (PubChem CID 107713600) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]phenyl]ethanol
PubChem CID107713600
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]phenyl]ethanol
SMILESCc1ccnc(Oc2ccccc2CCO)c1[N+](=O)[O-]
InChIInChI=1S/C14H14N2O4/c1-10-6-8-15-14(13(10)16(18)19)20-12-5-3-2-4-11(12)7-9-17/h2-6,8,17H,7,9H2,1H3
InChIKeyLHJRPJCZZWDFIS-UHFFFAOYSA-N
XLogP2.63
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.63
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

3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 107714129
3-bromo-2-(2-ethylphenoxy)-4-methylpyridine
CID 106877891
(4-methyl-3-nitro-2-pyridinyl)methanol
CID 119088266
5-bromo-2-[(4-methyl-3-nitro-2-pyridinyl)oxy]benzoic acid
CID 104629704
methyl 3-amino-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylate
CID 107713848
trimethyl-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]ethyl]silane
CID 177336110
[4-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexyl]methanol
CID 106825796
[2-[(3-methyl-2-pyridinyl)oxy]phenyl]methanol
CID 107713381
3-fluoro-2-(3-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid
CID 105380025
[2-(3-methoxy-2-nitrophenoxy)phenyl]methanol
CID 107713464
2-[2-[(3-bromo-5-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107713700
2-[2-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol
CID 107713105

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]phenyl]ethanol?
The IUPAC name of 2-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]phenyl]ethanol (CID 107713600) is 2-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]phenyl]ethanol is Cc1ccnc(Oc2ccccc2CCO)c1[N+](=O)[O-].
What is the InChIKey of 2-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]phenyl]ethanol?
The InChIKey is LHJRPJCZZWDFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-10-6-8-15-14(13(10)16(18)19)20-12-5-3-2-4-11(12)7-9-17/h2-6,8,17H,7,9H2,1H3.
What are the key properties of 2-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]phenyl]ethanol?
2-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]phenyl]ethanol has a molecular weight of 274.28 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]phenyl]ethanol is sourced from PubChem (CID 107713600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).