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

C13H9FN2O5 — CID 114416376

IUPAC6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
SMILESCc1cc(Oc2ccc(C(=O)O)cn2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H9FN2O5/c1-7-4-11(9(14)5-10(7)16(19)20)21-12-3-2-8(6-15-12)13(17)18/h2-6H,1H3,(H,17,18)
InChIKeySSSKFXPCJSOYGW-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.93
Rot. Bonds4

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

6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid (PubChem CID 114416376) has the molecular formula C13H9FN2O5 and a molecular weight of 292.22 g/mol. Its IUPAC name is 6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
PubChem CID114416376
Molecular FormulaC13H9FN2O5
Molecular Weight292.22 g/mol
Exact Mass292.05
IUPAC Name6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
SMILESCc1cc(Oc2ccc(C(=O)O)cn2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H9FN2O5/c1-7-4-11(9(14)5-10(7)16(19)20)21-12-3-2-8(6-15-12)13(17)18/h2-6H,1H3,(H,17,18)
InChIKeySSSKFXPCJSOYGW-UHFFFAOYSA-N
XLogP2.93
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde
CID 114417003
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-3-carboxylic acid
CID 114416377
6-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid
CID 62369990
4-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)oxy]benzoic acid
CID 83259628
6-(2,4-dimethyl-6-nitrophenoxy)pyridine-3-carboxylic acid
CID 62098338
2-bromo-5-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine
CID 112754869
2-(2,5-dimethyl-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 60726441
5-chloro-2-(2,5-difluoro-4-nitrophenoxy)pyridine
CID 66234348
4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine
CID 114418383
2-(2-fluoro-5-methyl-4-nitrophenoxy)acetic acid
CID 114416258
[6-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 114418608
4-fluoro-2-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 107016475

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid (CID 114416376) is 6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid is Cc1cc(Oc2ccc(C(=O)O)cn2)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid?
The InChIKey is SSSKFXPCJSOYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O5/c1-7-4-11(9(14)5-10(7)16(19)20)21-12-3-2-8(6-15-12)13(17)18/h2-6H,1H3,(H,17,18).
What are the key properties of 6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid?
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid has a molecular weight of 292.22 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 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-carboxylic acid is sourced from PubChem (CID 114416376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).