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

C12H10N2O4 — CID 107713386

IUPAC[2-[(3-nitro-4-pyridinyl)oxy]phenyl]methanol
SMILESO=[N+]([O-])c1cnccc1Oc1ccccc1CO
InChIInChI=1S/C12H10N2O4/c15-8-9-3-1-2-4-11(9)18-12-5-6-13-7-10(12)14(16)17/h1-7,15H,8H2
InChIKeyNRPXLGQMAGRWHN-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.27
Rot. Bonds4

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

[2-[(3-nitro-4-pyridinyl)oxy]phenyl]methanol (PubChem CID 107713386) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is [2-[(3-nitro-4-pyridinyl)oxy]phenyl]methanol.

Molecular Properties

Compound Name[2-[(3-nitro-4-pyridinyl)oxy]phenyl]methanol
PubChem CID107713386
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name[2-[(3-nitro-4-pyridinyl)oxy]phenyl]methanol
SMILESO=[N+]([O-])c1cnccc1Oc1ccccc1CO
InChIInChI=1S/C12H10N2O4/c15-8-9-3-1-2-4-11(9)18-12-5-6-13-7-10(12)14(16)17/h1-7,15H,8H2
InChIKeyNRPXLGQMAGRWHN-UHFFFAOYSA-N
XLogP2.27
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.27
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

[2-(2-nitrophenoxy)phenyl]methanol
CID 54915252
[4-[2-(hydroxymethyl)phenoxy]-3-nitrophenyl]methanol
CID 63653967
[2-(4-methyl-2-nitrophenoxy)phenyl]methanol
CID 61311271
4-(2-tert-butylphenoxy)-3-nitropyridine
CID 59857443
[2-(2-fluoro-6-nitrophenoxy)phenyl]methanol
CID 104831942
[2-(3-methoxy-2-nitrophenoxy)phenyl]methanol
CID 107713464
[2-(5-chloro-2-nitrophenoxy)phenyl]methanol
CID 62304673
2-[4-[(3-nitro-4-pyridinyl)oxy]phenyl]ethanol
CID 107709588
6-[2-(hydroxymethyl)phenoxy]-5-nitropyridine-3-carbonitrile
CID 107713407
2-[2-[[4-(hydroxymethyl)-3-pyridinyl]oxy]phenyl]ethanol
CID 107713866
2-[4-[(3-nitro-4-pyridinyl)oxy]phenyl]acetic acid
CID 61395522
[4-bromo-2-(2-nitrophenoxy)phenyl]methanol
CID 54915296

Frequently Asked Questions

What is the IUPAC name of [2-[(3-nitro-4-pyridinyl)oxy]phenyl]methanol?
The IUPAC name of [2-[(3-nitro-4-pyridinyl)oxy]phenyl]methanol (CID 107713386) is [2-[(3-nitro-4-pyridinyl)oxy]phenyl]methanol.
What is the SMILES notation for [2-[(3-nitro-4-pyridinyl)oxy]phenyl]methanol?
The canonical SMILES for [2-[(3-nitro-4-pyridinyl)oxy]phenyl]methanol is O=[N+]([O-])c1cnccc1Oc1ccccc1CO.
What is the InChIKey of [2-[(3-nitro-4-pyridinyl)oxy]phenyl]methanol?
The InChIKey is NRPXLGQMAGRWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c15-8-9-3-1-2-4-11(9)18-12-5-6-13-7-10(12)14(16)17/h1-7,15H,8H2.
What are the key properties of [2-[(3-nitro-4-pyridinyl)oxy]phenyl]methanol?
[2-[(3-nitro-4-pyridinyl)oxy]phenyl]methanol has a molecular weight of 246.22 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-nitro-4-pyridinyl)oxy]phenyl]methanol is sourced from PubChem (CID 107713386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).