6-(2-fluoro-5-methyl-4-nitrophenoxy)-5-methylpyridine-3-carbaldehyde

C14H11FN2O4 — CID 114417002

IUPAC6-(2-fluoro-5-methyl-4-nitrophenoxy)-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(Oc2ncc(C=O)cc2C)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11FN2O4/c1-8-4-13(11(15)5-12(8)17(19)20)21-14-9(2)3-10(7-18)6-16-14/h3-7H,1-2H3
InChIKeyICSXGSZCQNPJLW-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.35
Rot. Bonds4

About 6-(2-fluoro-5-methyl-4-nitrophenoxy)-5-methylpyridine-3-carbaldehyde

6-(2-fluoro-5-methyl-4-nitrophenoxy)-5-methylpyridine-3-carbaldehyde (PubChem CID 114417002) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 6-(2-fluoro-5-methyl-4-nitrophenoxy)-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(2-fluoro-5-methyl-4-nitrophenoxy)-5-methylpyridine-3-carbaldehyde
PubChem CID114417002
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name6-(2-fluoro-5-methyl-4-nitrophenoxy)-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(Oc2ncc(C=O)cc2C)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11FN2O4/c1-8-4-13(11(15)5-12(8)17(19)20)21-14-9(2)3-10(7-18)6-16-14/h3-7H,1-2H3
InChIKeyICSXGSZCQNPJLW-UHFFFAOYSA-N
XLogP3.35
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.35
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-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidine-5-carbaldehyde
CID 114417001
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde
CID 114417003
6-(4-fluoro-2-nitrophenoxy)-5-methylpyridine-3-carbaldehyde
CID 80631158
5-(chloromethyl)-2-(2,5-difluoro-4-nitrophenoxy)-3-methylpyridine
CID 80631960
5-methyl-6-(4-nitrophenoxy)pyridine-3-carbaldehyde
CID 80631386
2-bromo-5-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine
CID 112754869
3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-4-carbonitrile
CID 114416641
6-(3,5-difluorophenoxy)-5-methylpyridine-3-carbaldehyde
CID 80631634
6-(2-fluoro-5-methyl-4-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine
CID 114418468
3-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine-2-carboximidamide
CID 114416866
2-(2-fluoro-5-methyl-4-nitrophenoxy)acetic acid
CID 114416258
4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine
CID 114416597

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-5-methyl-4-nitrophenoxy)-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-(2-fluoro-5-methyl-4-nitrophenoxy)-5-methylpyridine-3-carbaldehyde (CID 114417002) is 6-(2-fluoro-5-methyl-4-nitrophenoxy)-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(2-fluoro-5-methyl-4-nitrophenoxy)-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(2-fluoro-5-methyl-4-nitrophenoxy)-5-methylpyridine-3-carbaldehyde is Cc1cc(Oc2ncc(C=O)cc2C)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 6-(2-fluoro-5-methyl-4-nitrophenoxy)-5-methylpyridine-3-carbaldehyde?
The InChIKey is ICSXGSZCQNPJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c1-8-4-13(11(15)5-12(8)17(19)20)21-14-9(2)3-10(7-18)6-16-14/h3-7H,1-2H3.
What are the key properties of 6-(2-fluoro-5-methyl-4-nitrophenoxy)-5-methylpyridine-3-carbaldehyde?
6-(2-fluoro-5-methyl-4-nitrophenoxy)-5-methylpyridine-3-carbaldehyde has a molecular weight of 290.25 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-5-methyl-4-nitrophenoxy)-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 114417002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).