5-[(4-chloro-2-nitrophenyl)methoxy]pyridine-2-carbaldehyde

C13H9ClN2O4 — CID 79794595

IUPAC5-[(4-chloro-2-nitrophenyl)methoxy]pyridine-2-carbaldehyde
SMILESO=Cc1ccc(OCc2ccc(Cl)cc2[N+](=O)[O-])cn1
InChIInChI=1S/C13H9ClN2O4/c14-10-2-1-9(13(5-10)16(18)19)8-20-12-4-3-11(7-17)15-6-12/h1-7H,8H2
InChIKeyNURWNXLWLLLPHO-UHFFFAOYSA-N
MW292.68 g/mol
LogP3.03
Rot. Bonds5

About 5-[(4-chloro-2-nitrophenyl)methoxy]pyridine-2-carbaldehyde

5-[(4-chloro-2-nitrophenyl)methoxy]pyridine-2-carbaldehyde (PubChem CID 79794595) has the molecular formula C13H9ClN2O4 and a molecular weight of 292.68 g/mol. Its IUPAC name is 5-[(4-chloro-2-nitrophenyl)methoxy]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-[(4-chloro-2-nitrophenyl)methoxy]pyridine-2-carbaldehyde
PubChem CID79794595
Molecular FormulaC13H9ClN2O4
Molecular Weight292.68 g/mol
Exact Mass292.03
IUPAC Name5-[(4-chloro-2-nitrophenyl)methoxy]pyridine-2-carbaldehyde
SMILESO=Cc1ccc(OCc2ccc(Cl)cc2[N+](=O)[O-])cn1
InChIInChI=1S/C13H9ClN2O4/c14-10-2-1-9(13(5-10)16(18)19)8-20-12-4-3-11(7-17)15-6-12/h1-7H,8H2
InChIKeyNURWNXLWLLLPHO-UHFFFAOYSA-N
XLogP3.03
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 53.03
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-[(4-chloro-2-nitrophenyl)methoxy]benzaldehyde
CID 60722601
[4-[(4-chloro-2-nitrophenyl)methoxy]phenyl]methanamine
CID 62100063
4-[(4-chloro-2-nitrophenyl)methoxy]-2-fluoro-1-methylbenzene
CID 107171523
2-[(4-bromo-2-nitrophenyl)methoxy]-5-chlorobenzaldehyde
CID 114381646
2-[(4-chloro-2-nitrophenyl)methoxy]-3-fluorobenzaldehyde
CID 115955783
1-(butoxymethyl)-4-chloro-2-nitrobenzene
CID 91725296
1-[(4-chloro-2-nitrophenyl)methoxy]-2,4-dimethylbenzene
CID 64764424
4-[(4-chloro-2-fluorophenyl)methoxy]-3-nitrobenzaldehyde
CID 114849387
(E)-3-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]prop-2-enoic acid
CID 114850433
bis[(4-chloro-2-nitrophenyl)methyl] butanedioate
CID 91725719
4-chloro-1-(2-methylpropoxymethyl)-2-nitrobenzene
CID 91693582
3-[(4-chloro-2-nitrophenyl)methoxy]propan-1-amine
CID 62344232

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-nitrophenyl)methoxy]pyridine-2-carbaldehyde?
The IUPAC name of 5-[(4-chloro-2-nitrophenyl)methoxy]pyridine-2-carbaldehyde (CID 79794595) is 5-[(4-chloro-2-nitrophenyl)methoxy]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-[(4-chloro-2-nitrophenyl)methoxy]pyridine-2-carbaldehyde?
The canonical SMILES for 5-[(4-chloro-2-nitrophenyl)methoxy]pyridine-2-carbaldehyde is O=Cc1ccc(OCc2ccc(Cl)cc2[N+](=O)[O-])cn1.
What is the InChIKey of 5-[(4-chloro-2-nitrophenyl)methoxy]pyridine-2-carbaldehyde?
The InChIKey is NURWNXLWLLLPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O4/c14-10-2-1-9(13(5-10)16(18)19)8-20-12-4-3-11(7-17)15-6-12/h1-7H,8H2.
What are the key properties of 5-[(4-chloro-2-nitrophenyl)methoxy]pyridine-2-carbaldehyde?
5-[(4-chloro-2-nitrophenyl)methoxy]pyridine-2-carbaldehyde has a molecular weight of 292.68 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2-nitrophenyl)methoxy]pyridine-2-carbaldehyde is sourced from PubChem (CID 79794595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).