[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]methanol

C13H12N2O5 — CID 107713456

IUPAC[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]methanol
SMILESCOc1ccc([N+](=O)[O-])c(Oc2ccccc2CO)n1
InChIInChI=1S/C13H12N2O5/c1-19-12-7-6-10(15(17)18)13(14-12)20-11-5-3-2-4-9(11)8-16/h2-7,16H,8H2,1H3
InChIKeyBHRDAKWQGOQVEU-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.28
Rot. Bonds5

About [2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]methanol

[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]methanol (PubChem CID 107713456) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is [2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]methanol.

Molecular Properties

Compound Name[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]methanol
PubChem CID107713456
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]methanol
SMILESCOc1ccc([N+](=O)[O-])c(Oc2ccccc2CO)n1
InChIInChI=1S/C13H12N2O5/c1-19-12-7-6-10(15(17)18)13(14-12)20-11-5-3-2-4-9(11)8-16/h2-7,16H,8H2,1H3
InChIKeyBHRDAKWQGOQVEU-UHFFFAOYSA-N
XLogP2.28
TPSA94.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 52.28
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

1-[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106485526
[2-(2-nitrophenoxy)phenyl]methanol
CID 54915252
[2-(3-methoxy-2-nitrophenoxy)phenyl]methanol
CID 107713464
6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 79881497
[2-(4-methyl-2-nitrophenoxy)phenyl]methanol
CID 61311271
[2-(5-chloro-2-nitrophenoxy)phenyl]methanol
CID 62304673
[2-[(3-nitro-4-pyridinyl)oxy]phenyl]methanol
CID 107713386
2-(2-bromo-4-methylphenoxy)-6-methoxy-3-nitropyridine
CID 115321316
3-[(6-methoxy-3-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid
CID 115323377
4-[(6-methoxy-3-nitro-2-pyridinyl)oxy]-N-methylaniline
CID 115323350
6-[2-(hydroxymethyl)phenoxy]-5-nitropyridine-3-carbonitrile
CID 107713407
2-(difluoromethoxy)-6-methoxy-3-nitropyridine
CID 153376192

Frequently Asked Questions

What is the IUPAC name of [2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]methanol?
The IUPAC name of [2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]methanol (CID 107713456) is [2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]methanol.
What is the SMILES notation for [2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]methanol?
The canonical SMILES for [2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]methanol is COc1ccc([N+](=O)[O-])c(Oc2ccccc2CO)n1.
What is the InChIKey of [2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]methanol?
The InChIKey is BHRDAKWQGOQVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-19-12-7-6-10(15(17)18)13(14-12)20-11-5-3-2-4-9(11)8-16/h2-7,16H,8H2,1H3.
What are the key properties of [2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]methanol?
[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]methanol has a molecular weight of 276.25 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]methanol is sourced from PubChem (CID 107713456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).