[5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol

C13H12N2O4 — CID 80629220

IUPAC[5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H12N2O4/c1-9-5-10(8-16)7-14-13(9)19-12-4-2-3-11(6-12)15(17)18/h2-7,16H,8H2,1H3
InChIKeyLQDMLFKQNOBXQW-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.58
Rot. Bonds4

About [5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol

[5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol (PubChem CID 80629220) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is [5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol
PubChem CID80629220
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name[5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H12N2O4/c1-9-5-10(8-16)7-14-13(9)19-12-4-2-3-11(6-12)15(17)18/h2-7,16H,8H2,1H3
InChIKeyLQDMLFKQNOBXQW-UHFFFAOYSA-N
XLogP2.58
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.58
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

5-(chloromethyl)-3-methyl-2-(3-nitrophenoxy)pyridine
CID 80627929
[6-(2-chloro-5-nitrophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80628217
[6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol
CID 103201814
[6-(3,4-dimethylphenoxy)-5-methyl-3-pyridinyl]methanol
CID 80628087
[5-methyl-6-(3-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 80628637
[6-[3-(dimethylamino)phenoxy]-5-methyl-3-pyridinyl]methanol
CID 80628307
(5-methyl-6-naphthalen-2-yloxy-3-pyridinyl)methanol
CID 80629021
2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine
CID 79076239
N-methyl-1-[3-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanamine
CID 106486385
3-bromo-4-methyl-2-(3-nitrophenoxy)pyridine
CID 106877947
2-methyl-5-(3-nitrophenoxy)pyridine
CID 59712225
6-[3-(hydroxymethyl)phenoxy]-5-methylpyridine-3-carbaldehyde
CID 80631507

Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol?
The IUPAC name of [5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol (CID 80629220) is [5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol?
The canonical SMILES for [5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol is Cc1cc(CO)cnc1Oc1cccc([N+](=O)[O-])c1.
What is the InChIKey of [5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol?
The InChIKey is LQDMLFKQNOBXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-9-5-10(8-16)7-14-13(9)19-12-4-2-3-11(6-12)15(17)18/h2-7,16H,8H2,1H3.
What are the key properties of [5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol?
[5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol has a molecular weight of 260.25 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 80629220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).