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

C13H9FN2O4 — CID 114417003

IUPAC6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde
SMILESCc1cc(Oc2ccc(C=O)cn2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H9FN2O4/c1-8-4-12(10(14)5-11(8)16(18)19)20-13-3-2-9(7-17)6-15-13/h2-7H,1H3
InChIKeyHWCPTNVWKVRZGY-UHFFFAOYSA-N
MW276.22 g/mol
LogP3.04
Rot. Bonds4

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

6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde (PubChem CID 114417003) has the molecular formula C13H9FN2O4 and a molecular weight of 276.22 g/mol. Its IUPAC name is 6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde
PubChem CID114417003
Molecular FormulaC13H9FN2O4
Molecular Weight276.22 g/mol
Exact Mass276.05
IUPAC Name6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde
SMILESCc1cc(Oc2ccc(C=O)cn2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H9FN2O4/c1-8-4-12(10(14)5-11(8)16(18)19)20-13-3-2-9(7-17)6-15-13/h2-7H,1H3
InChIKeyHWCPTNVWKVRZGY-UHFFFAOYSA-N
XLogP3.04
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 53.04
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)-5-methylpyridine-3-carbaldehyde
CID 114417002
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 114416376
2-bromo-5-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine
CID 112754869
5-chloro-2-(2,5-difluoro-4-nitrophenoxy)pyridine
CID 66234348
4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine
CID 114418383
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-3-carboxylic acid
CID 114416377
[6-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 114418608
4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine
CID 114416597
6-(5-bromo-2-fluorophenoxy)pyridine-3-carbaldehyde
CID 114673917
3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-4-carbonitrile
CID 114416641
6-(4-fluoro-2-nitrophenoxy)-5-methylpyridine-3-carbaldehyde
CID 80631158

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde?
The IUPAC name of 6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde (CID 114417003) is 6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde is Cc1cc(Oc2ccc(C=O)cn2)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde?
The InChIKey is HWCPTNVWKVRZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O4/c1-8-4-12(10(14)5-11(8)16(18)19)20-13-3-2-9(7-17)6-15-13/h2-7H,1H3.
What are the key properties of 6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde?
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde has a molecular weight of 276.22 g/mol, XLogP of 3.04, 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)pyridine-3-carbaldehyde is sourced from PubChem (CID 114417003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).