3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methylpyridine-2-carbaldehyde

C14H11FN2O4 — CID 115980652

IUPAC3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
SMILESCc1ccc(OCc2cc(F)cc([N+](=O)[O-])c2)c(C=O)n1
InChIInChI=1S/C14H11FN2O4/c1-9-2-3-14(13(7-18)16-9)21-8-10-4-11(15)6-12(5-10)17(19)20/h2-7H,8H2,1H3
InChIKeyBVSFNUNXCRJQAK-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.83
Rot. Bonds5

About 3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methylpyridine-2-carbaldehyde

3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methylpyridine-2-carbaldehyde (PubChem CID 115980652) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
PubChem CID115980652
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
SMILESCc1ccc(OCc2cc(F)cc([N+](=O)[O-])c2)c(C=O)n1
InChIInChI=1S/C14H11FN2O4/c1-9-2-3-14(13(7-18)16-9)21-8-10-4-11(15)6-12(5-10)17(19)20/h2-7H,8H2,1H3
InChIKeyBVSFNUNXCRJQAK-UHFFFAOYSA-N
XLogP2.83
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.83
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-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 105403665
6-methyl-3-[(3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
CID 78929256
[3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 115980216
3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde
CID 107689434
2-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde
CID 115980639
4-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylaniline
CID 115981173
2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylbenzene
CID 107662043
1-[(3-fluoro-5-nitrophenyl)methoxy]-2,3-dimethylbenzene
CID 103432395
4-(bromomethyl)-2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]benzene
CID 107691619
3-[(3-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929137
[3-chloro-4-[(3-fluoro-5-nitrophenyl)methoxy]phenyl]methanol
CID 115980729
3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzonitrile
CID 107670429

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methylpyridine-2-carbaldehyde?
The IUPAC name of 3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methylpyridine-2-carbaldehyde (CID 115980652) is 3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methylpyridine-2-carbaldehyde?
The canonical SMILES for 3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methylpyridine-2-carbaldehyde is Cc1ccc(OCc2cc(F)cc([N+](=O)[O-])c2)c(C=O)n1.
What is the InChIKey of 3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methylpyridine-2-carbaldehyde?
The InChIKey is BVSFNUNXCRJQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c1-9-2-3-14(13(7-18)16-9)21-8-10-4-11(15)6-12(5-10)17(19)20/h2-7H,8H2,1H3.
What are the key properties of 3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methylpyridine-2-carbaldehyde?
3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methylpyridine-2-carbaldehyde has a molecular weight of 290.25 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 115980652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).