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

C12H10N2O4 — CID 79869655

IUPAC[3-[(4-nitro-2-pyridinyl)oxy]phenyl]methanol
SMILESO=[N+]([O-])c1ccnc(Oc2cccc(CO)c2)c1
InChIInChI=1S/C12H10N2O4/c15-8-9-2-1-3-11(6-9)18-12-7-10(14(16)17)4-5-13-12/h1-7,15H,8H2
InChIKeyDQMZHWNVARMYQP-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.27
Rot. Bonds4

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

[3-[(4-nitro-2-pyridinyl)oxy]phenyl]methanol (PubChem CID 79869655) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is [3-[(4-nitro-2-pyridinyl)oxy]phenyl]methanol.

Molecular Properties

Compound Name[3-[(4-nitro-2-pyridinyl)oxy]phenyl]methanol
PubChem CID79869655
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name[3-[(4-nitro-2-pyridinyl)oxy]phenyl]methanol
SMILESO=[N+]([O-])c1ccnc(Oc2cccc(CO)c2)c1
InChIInChI=1S/C12H10N2O4/c15-8-9-2-1-3-11(6-9)18-12-7-10(14(16)17)4-5-13-12/h1-7,15H,8H2
InChIKeyDQMZHWNVARMYQP-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'}

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

3-[(4-nitro-2-pyridinyl)oxy]benzoic acid
CID 55207487
2-[4-[(4-nitro-2-pyridinyl)oxy]phenyl]ethanamine
CID 65362426
2-(3-bromo-4-fluorophenoxy)-4-nitropyridine
CID 83234948
[3-[3-(methylamino)-5-nitrophenoxy]phenyl]methanol
CID 80872239
[5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol
CID 80629220
[3-(6-aminopyrimidin-4-yl)oxyphenyl]methanol
CID 80873838
[3-(6-fluoropyrimidin-4-yl)oxyphenyl]methanol
CID 115416170
4-(3-nitrophenoxy)pyrimidin-2-amine
CID 80870461
2-bromo-4-(3-nitrophenoxy)pyrimidine
CID 133055918
[3-(2-chloro-5-nitropyrimidin-4-yl)oxyphenyl]methanol
CID 114044249
1-(iodomethyl)-3-(3-nitrophenoxy)benzene
CID 166790575
[3-(2-methyl-6-nitrophenoxy)phenyl]methanol
CID 115553970

Frequently Asked Questions

What is the IUPAC name of [3-[(4-nitro-2-pyridinyl)oxy]phenyl]methanol?
The IUPAC name of [3-[(4-nitro-2-pyridinyl)oxy]phenyl]methanol (CID 79869655) is [3-[(4-nitro-2-pyridinyl)oxy]phenyl]methanol.
What is the SMILES notation for [3-[(4-nitro-2-pyridinyl)oxy]phenyl]methanol?
The canonical SMILES for [3-[(4-nitro-2-pyridinyl)oxy]phenyl]methanol is O=[N+]([O-])c1ccnc(Oc2cccc(CO)c2)c1.
What is the InChIKey of [3-[(4-nitro-2-pyridinyl)oxy]phenyl]methanol?
The InChIKey is DQMZHWNVARMYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c15-8-9-2-1-3-11(6-9)18-12-7-10(14(16)17)4-5-13-12/h1-7,15H,8H2.
What are the key properties of [3-[(4-nitro-2-pyridinyl)oxy]phenyl]methanol?
[3-[(4-nitro-2-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 [3-[(4-nitro-2-pyridinyl)oxy]phenyl]methanol is sourced from PubChem (CID 79869655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).