4-(4-methoxy-2-pyridinyl)-2-nitrobenzaldehyde

C13H10N2O4 — CID 18667545

IUPAC4-(4-methoxy-2-pyridinyl)-2-nitrobenzaldehyde
SMILESCOc1ccnc(-c2ccc(C=O)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C13H10N2O4/c1-19-11-4-5-14-12(7-11)9-2-3-10(8-16)13(6-9)15(17)18/h2-8H,1H3
InChIKeyULJLULBCKUMTIA-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.48
Rot. Bonds4

About 4-(4-methoxy-2-pyridinyl)-2-nitrobenzaldehyde

4-(4-methoxy-2-pyridinyl)-2-nitrobenzaldehyde (PubChem CID 18667545) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 4-(4-methoxy-2-pyridinyl)-2-nitrobenzaldehyde.

Molecular Properties

Compound Name4-(4-methoxy-2-pyridinyl)-2-nitrobenzaldehyde
PubChem CID18667545
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name4-(4-methoxy-2-pyridinyl)-2-nitrobenzaldehyde
SMILESCOc1ccnc(-c2ccc(C=O)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C13H10N2O4/c1-19-11-4-5-14-12(7-11)9-2-3-10(8-16)13(6-9)15(17)18/h2-8H,1H3
InChIKeyULJLULBCKUMTIA-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
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

4-(2-bromo-4-methoxyphenoxy)-2-nitrobenzaldehyde
CID 177352375
2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine
CID 141380203
2-nitro-4-(3,4,5-trifluorophenyl)benzaldehyde
CID 176730094
2-(4-methoxyphenyl)-3-nitrobenzaldehyde
CID 174417742
2-(4-methoxy-2-pyridinyl)-4-nitrophenol
CID 135847666
4-methoxy-2-(5-nitro-1H-pyrazol-4-yl)pyridine
CID 141478928
4-tert-butyl-2-nitrobenzaldehyde
CID 77174841
bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);decakis(oxygen(2-));tungsten;bis(vanadium)
CID 53380093
5-methoxy-3-nitro-2-sulfanylbenzaldehyde
CID 139830624
7-(4-methoxy-2-pyridinyl)-1H-quinolin-2-one
CID 18667592
1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-4-methoxy-2-nitrobenzene
CID 25050646
5-methoxy-2-nitro-4-(2,2,2-trifluoroethoxy)benzaldehyde
CID 43311615

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-pyridinyl)-2-nitrobenzaldehyde?
The IUPAC name of 4-(4-methoxy-2-pyridinyl)-2-nitrobenzaldehyde (CID 18667545) is 4-(4-methoxy-2-pyridinyl)-2-nitrobenzaldehyde.
What is the SMILES notation for 4-(4-methoxy-2-pyridinyl)-2-nitrobenzaldehyde?
The canonical SMILES for 4-(4-methoxy-2-pyridinyl)-2-nitrobenzaldehyde is COc1ccnc(-c2ccc(C=O)c([N+](=O)[O-])c2)c1.
What is the InChIKey of 4-(4-methoxy-2-pyridinyl)-2-nitrobenzaldehyde?
The InChIKey is ULJLULBCKUMTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c1-19-11-4-5-14-12(7-11)9-2-3-10(8-16)13(6-9)15(17)18/h2-8H,1H3.
What are the key properties of 4-(4-methoxy-2-pyridinyl)-2-nitrobenzaldehyde?
4-(4-methoxy-2-pyridinyl)-2-nitrobenzaldehyde has a molecular weight of 258.23 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-pyridinyl)-2-nitrobenzaldehyde is sourced from PubChem (CID 18667545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).