4-[(4-formyl-2-nitrophenoxy)methyl]pyridine-2-carbonitrile

C14H9N3O4 — CID 63881950

IUPAC4-[(4-formyl-2-nitrophenoxy)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2ccc(C=O)cc2[N+](=O)[O-])ccn1
InChIInChI=1S/C14H9N3O4/c15-7-12-5-11(3-4-16-12)9-21-14-2-1-10(8-18)6-13(14)17(19)20/h1-6,8H,9H2
InChIKeySAXXBBFRMIGVEA-UHFFFAOYSA-N
MW283.24 g/mol
LogP2.25
Rot. Bonds5

About 4-[(4-formyl-2-nitrophenoxy)methyl]pyridine-2-carbonitrile

4-[(4-formyl-2-nitrophenoxy)methyl]pyridine-2-carbonitrile (PubChem CID 63881950) has the molecular formula C14H9N3O4 and a molecular weight of 283.24 g/mol. Its IUPAC name is 4-[(4-formyl-2-nitrophenoxy)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(4-formyl-2-nitrophenoxy)methyl]pyridine-2-carbonitrile
PubChem CID63881950
Molecular FormulaC14H9N3O4
Molecular Weight283.24 g/mol
Exact Mass283.06
IUPAC Name4-[(4-formyl-2-nitrophenoxy)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2ccc(C=O)cc2[N+](=O)[O-])ccn1
InChIInChI=1S/C14H9N3O4/c15-7-12-5-11(3-4-16-12)9-21-14-2-1-10(8-18)6-13(14)17(19)20/h1-6,8H,9H2
InChIKeySAXXBBFRMIGVEA-UHFFFAOYSA-N
XLogP2.25
TPSA106.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

4-[(4-chloro-2-nitrophenoxy)methyl]pyridine-2-carbonitrile
CID 63884238
4-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine-2-carbonitrile
CID 63884634
4-[(5-fluoro-2-nitrophenoxy)methyl]pyridine-2-carbonitrile
CID 63885407
4-[[5-(bromomethyl)-2-nitrophenoxy]methyl]pyridine-2-carbonitrile
CID 63881772
3-nitro-4-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 55108248
4-[(3,5-dimethylphenyl)methoxy]-3-nitrobenzaldehyde
CID 60644504
5-(4-formyl-2-nitrophenoxy)pentanenitrile
CID 60673949
4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-nitrobenzaldehyde
CID 8951271
4-[(1-methylimidazol-2-yl)methoxy]-3-nitrobenzaldehyde
CID 43326878
4-[(1-ethylpyrazol-4-yl)methoxy]-3-nitrobenzaldehyde
CID 62126534
4-(4-formyl-2-nitrophenoxy)benzonitrile
CID 27815691
3-nitro-4-propoxybenzaldehyde
CID 28690176

Frequently Asked Questions

What is the IUPAC name of 4-[(4-formyl-2-nitrophenoxy)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(4-formyl-2-nitrophenoxy)methyl]pyridine-2-carbonitrile (CID 63881950) is 4-[(4-formyl-2-nitrophenoxy)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(4-formyl-2-nitrophenoxy)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(4-formyl-2-nitrophenoxy)methyl]pyridine-2-carbonitrile is N#Cc1cc(COc2ccc(C=O)cc2[N+](=O)[O-])ccn1.
What is the InChIKey of 4-[(4-formyl-2-nitrophenoxy)methyl]pyridine-2-carbonitrile?
The InChIKey is SAXXBBFRMIGVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O4/c15-7-12-5-11(3-4-16-12)9-21-14-2-1-10(8-18)6-13(14)17(19)20/h1-6,8H,9H2.
What are the key properties of 4-[(4-formyl-2-nitrophenoxy)methyl]pyridine-2-carbonitrile?
4-[(4-formyl-2-nitrophenoxy)methyl]pyridine-2-carbonitrile has a molecular weight of 283.24 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-formyl-2-nitrophenoxy)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63881950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).