5-methyl-6-(4-nitrophenoxy)pyridine-3-carbaldehyde

C13H10N2O4 — CID 80631386

IUPAC5-methyl-6-(4-nitrophenoxy)pyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H10N2O4/c1-9-6-10(8-16)7-14-13(9)19-12-4-2-11(3-5-12)15(17)18/h2-8H,1H3
InChIKeyKXQNOSBNRVTHGL-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.90
Rot. Bonds4

About 5-methyl-6-(4-nitrophenoxy)pyridine-3-carbaldehyde

5-methyl-6-(4-nitrophenoxy)pyridine-3-carbaldehyde (PubChem CID 80631386) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 5-methyl-6-(4-nitrophenoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-6-(4-nitrophenoxy)pyridine-3-carbaldehyde
PubChem CID80631386
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name5-methyl-6-(4-nitrophenoxy)pyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H10N2O4/c1-9-6-10(8-16)7-14-13(9)19-12-4-2-11(3-5-12)15(17)18/h2-8H,1H3
InChIKeyKXQNOSBNRVTHGL-UHFFFAOYSA-N
XLogP2.90
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[4-(2-hydroxyethyl)phenoxy]-5-methylpyridine-3-carbaldehyde
CID 107709147
methyl 4-[(5-formyl-3-methyl-2-pyridinyl)oxy]benzoate
CID 58835150
6-(4-fluoro-2-nitrophenoxy)-5-methylpyridine-3-carbaldehyde
CID 80631158
6-(2-fluoro-5-methyl-4-nitrophenoxy)-5-methylpyridine-3-carbaldehyde
CID 114417002
6-(3,5-difluorophenoxy)-5-methylpyridine-3-carbaldehyde
CID 80631634
6-(4-chloro-3-fluorophenoxy)-5-methylpyridine-3-carbaldehyde
CID 82716271
4-(2-methyl-5-nitrophenoxy)benzaldehyde
CID 54915397
6-[3-(hydroxymethyl)phenoxy]-5-methylpyridine-3-carbaldehyde
CID 80631507
N-methyl-1-[3-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanamine
CID 106486385
5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine
CID 61372882
[5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol
CID 80629220
5-(chloromethyl)-3-methyl-2-(3-nitrophenoxy)pyridine
CID 80627929

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(4-nitrophenoxy)pyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-6-(4-nitrophenoxy)pyridine-3-carbaldehyde (CID 80631386) is 5-methyl-6-(4-nitrophenoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-6-(4-nitrophenoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-6-(4-nitrophenoxy)pyridine-3-carbaldehyde is Cc1cc(C=O)cnc1Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-methyl-6-(4-nitrophenoxy)pyridine-3-carbaldehyde?
The InChIKey is KXQNOSBNRVTHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c1-9-6-10(8-16)7-14-13(9)19-12-4-2-11(3-5-12)15(17)18/h2-8H,1H3.
What are the key properties of 5-methyl-6-(4-nitrophenoxy)pyridine-3-carbaldehyde?
5-methyl-6-(4-nitrophenoxy)pyridine-3-carbaldehyde has a molecular weight of 258.23 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(4-nitrophenoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 80631386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).