5-(3-fluoro-4-nitrophenoxy)pyridine-3-carbaldehyde

C12H7FN2O4 — CID 113469459

IUPAC5-(3-fluoro-4-nitrophenoxy)pyridine-3-carbaldehyde
SMILESO=Cc1cncc(Oc2ccc([N+](=O)[O-])c(F)c2)c1
InChIInChI=1S/C12H7FN2O4/c13-11-4-9(1-2-12(11)15(17)18)19-10-3-8(7-16)5-14-6-10/h1-7H
InChIKeyWKGRBOROGWVAEM-UHFFFAOYSA-N
MW262.20 g/mol
LogP2.73
Rot. Bonds4

About 5-(3-fluoro-4-nitrophenoxy)pyridine-3-carbaldehyde

5-(3-fluoro-4-nitrophenoxy)pyridine-3-carbaldehyde (PubChem CID 113469459) has the molecular formula C12H7FN2O4 and a molecular weight of 262.20 g/mol. Its IUPAC name is 5-(3-fluoro-4-nitrophenoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(3-fluoro-4-nitrophenoxy)pyridine-3-carbaldehyde
PubChem CID113469459
Molecular FormulaC12H7FN2O4
Molecular Weight262.20 g/mol
Exact Mass262.04
IUPAC Name5-(3-fluoro-4-nitrophenoxy)pyridine-3-carbaldehyde
SMILESO=Cc1cncc(Oc2ccc([N+](=O)[O-])c(F)c2)c1
InChIInChI=1S/C12H7FN2O4/c13-11-4-9(1-2-12(11)15(17)18)19-10-3-8(7-16)5-14-6-10/h1-7H
InChIKeyWKGRBOROGWVAEM-UHFFFAOYSA-N
XLogP2.73
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 52.73
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

2-bromo-5-(3-fluoro-4-nitrophenoxy)-1,3,4-thiadiazole
CID 64622817
(1S)-1-[4-(3-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370009
1-[5-(3-fluoro-4-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940569
4-(4-chloro-3-fluorophenoxy)-3-nitrobenzaldehyde
CID 82716350
3-(3-fluoro-4-nitrophenoxy)benzoic acid
CID 63941299
4-(bromomethyl)-2-fluoro-1-(3-fluoro-4-nitrophenoxy)benzene
CID 107088215
5-(3-methyl-4-nitrophenoxy)pyridin-3-amine
CID 104536614
5-(4-propylphenoxy)pyridine-3-carbaldehyde
CID 113469461
4-(3-fluoro-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332258
methyl 4-(3-fluoro-4-nitrophenoxy)pyridine-2-carboxylate
CID 23153479
tert-butyl-(3-fluoro-4-nitrophenoxy)-dimethylsilane
CID 90435244
3-bromo-5-(4-methoxy-3-nitrophenoxy)pyridine
CID 103201647

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-nitrophenoxy)pyridine-3-carbaldehyde?
The IUPAC name of 5-(3-fluoro-4-nitrophenoxy)pyridine-3-carbaldehyde (CID 113469459) is 5-(3-fluoro-4-nitrophenoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-(3-fluoro-4-nitrophenoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 5-(3-fluoro-4-nitrophenoxy)pyridine-3-carbaldehyde is O=Cc1cncc(Oc2ccc([N+](=O)[O-])c(F)c2)c1.
What is the InChIKey of 5-(3-fluoro-4-nitrophenoxy)pyridine-3-carbaldehyde?
The InChIKey is WKGRBOROGWVAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O4/c13-11-4-9(1-2-12(11)15(17)18)19-10-3-8(7-16)5-14-6-10/h1-7H.
What are the key properties of 5-(3-fluoro-4-nitrophenoxy)pyridine-3-carbaldehyde?
5-(3-fluoro-4-nitrophenoxy)pyridine-3-carbaldehyde has a molecular weight of 262.20 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-nitrophenoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 113469459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).