6-methyl-3-[(3-nitrophenyl)methoxy]pyridine-2-carbaldehyde

C14H12N2O4 — CID 78929256

IUPAC6-methyl-3-[(3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
SMILESCc1ccc(OCc2cccc([N+](=O)[O-])c2)c(C=O)n1
InChIInChI=1S/C14H12N2O4/c1-10-5-6-14(13(8-17)15-10)20-9-11-3-2-4-12(7-11)16(18)19/h2-8H,9H2,1H3
InChIKeyGVQVHTQTIKPCRA-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.69
Rot. Bonds5

About 6-methyl-3-[(3-nitrophenyl)methoxy]pyridine-2-carbaldehyde

6-methyl-3-[(3-nitrophenyl)methoxy]pyridine-2-carbaldehyde (PubChem CID 78929256) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 6-methyl-3-[(3-nitrophenyl)methoxy]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-methyl-3-[(3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
PubChem CID78929256
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name6-methyl-3-[(3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
SMILESCc1ccc(OCc2cccc([N+](=O)[O-])c2)c(C=O)n1
InChIInChI=1S/C14H12N2O4/c1-10-5-6-14(13(8-17)15-10)20-9-11-3-2-4-12(7-11)16(18)19/h2-8H,9H2,1H3
InChIKeyGVQVHTQTIKPCRA-UHFFFAOYSA-N
XLogP2.69
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.69
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

3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 115980652
3-[(3-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929137
2-(chloromethyl)-6-methyl-3-[(3-nitrophenyl)methoxy]pyridine
CID 79169537
6-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbaldehyde
CID 78929099
5-chloro-2-[(3-nitrophenyl)methoxy]benzaldehyde
CID 43244315
3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 105403665
6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine-2-carbaldehyde
CID 79267439
3-[(2-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929164
1-nitro-3-[[3-[(3-nitrophenyl)methoxy]phenoxy]methyl]benzene
CID 3841290
2-[(3-nitrophenyl)methoxy]aniline
CID 55032299
1-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]ethanone
CID 26054490
1-methyl-2-[(3-nitrophenyl)methoxy]-4-propan-2-ylbenzene
CID 78906355

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(3-nitrophenyl)methoxy]pyridine-2-carbaldehyde?
The IUPAC name of 6-methyl-3-[(3-nitrophenyl)methoxy]pyridine-2-carbaldehyde (CID 78929256) is 6-methyl-3-[(3-nitrophenyl)methoxy]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-methyl-3-[(3-nitrophenyl)methoxy]pyridine-2-carbaldehyde?
The canonical SMILES for 6-methyl-3-[(3-nitrophenyl)methoxy]pyridine-2-carbaldehyde is Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(C=O)n1.
What is the InChIKey of 6-methyl-3-[(3-nitrophenyl)methoxy]pyridine-2-carbaldehyde?
The InChIKey is GVQVHTQTIKPCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-10-5-6-14(13(8-17)15-10)20-9-11-3-2-4-12(7-11)16(18)19/h2-8H,9H2,1H3.
What are the key properties of 6-methyl-3-[(3-nitrophenyl)methoxy]pyridine-2-carbaldehyde?
6-methyl-3-[(3-nitrophenyl)methoxy]pyridine-2-carbaldehyde has a molecular weight of 272.26 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(3-nitrophenyl)methoxy]pyridine-2-carbaldehyde is sourced from PubChem (CID 78929256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).