methyl 6-[[(2-fluoro-6-formylbenzoyl)amino]methyl]pyridine-2-carboxylate

C16H13FN2O4 — CID 178053105

IUPACmethyl 6-[[(2-fluoro-6-formylbenzoyl)amino]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CNC(=O)c2c(F)cccc2C=O)n1
InChIInChI=1S/C16H13FN2O4/c1-23-16(22)13-7-3-5-11(19-13)8-18-15(21)14-10(9-20)4-2-6-12(14)17/h2-7,9H,8H2,1H3,(H,18,21)
InChIKeyYQIXRBMNJRYTOA-UHFFFAOYSA-N
MW316.29 g/mol
LogP1.75
Rot. Bonds5

About methyl 6-[[(2-fluoro-6-formylbenzoyl)amino]methyl]pyridine-2-carboxylate

methyl 6-[[(2-fluoro-6-formylbenzoyl)amino]methyl]pyridine-2-carboxylate (PubChem CID 178053105) has the molecular formula C16H13FN2O4 and a molecular weight of 316.29 g/mol. Its IUPAC name is methyl 6-[[(2-fluoro-6-formylbenzoyl)amino]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[(2-fluoro-6-formylbenzoyl)amino]methyl]pyridine-2-carboxylate
PubChem CID178053105
Molecular FormulaC16H13FN2O4
Molecular Weight316.29 g/mol
Exact Mass316.09
IUPAC Namemethyl 6-[[(2-fluoro-6-formylbenzoyl)amino]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CNC(=O)c2c(F)cccc2C=O)n1
InChIInChI=1S/C16H13FN2O4/c1-23-16(22)13-7-3-5-11(19-13)8-18-15(21)14-10(9-20)4-2-6-12(14)17/h2-7,9H,8H2,1H3,(H,18,21)
InChIKeyYQIXRBMNJRYTOA-UHFFFAOYSA-N
XLogP1.75
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze methyl 6-[[(2-fluoro-6-formylbenzoyl)amino]methyl]pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate
CID 3243117
2-[(2-Quinolinylcarbonyl)amino]ethyl 4-fluorobenzoate
CID 4088302
Benzyl 2-(isoquinoline-3-carbonylamino)acetate
CID 53231052
Methyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate
CID 3965403
Methyl 6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyridine-2-carboxylate
CID 46394483
methyl 5-[[(2S)-4-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]pentan-2-yl]carbamoyl]-1H-pyrrole-2-carboxylate
CID 155556246
6-(Benzylcarbamoyl)pyridine-2-carboxylic acid
CID 43558290
6-(2-Phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558381
Bis[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] pyridine-2,6-dicarboxylate
CID 5016948
Methyl 6-[(2-fluorophenyl)carbamoyl]pyridine-2-carboxylate
CID 46394478
Methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylate
CID 46394497
Methyl 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-2-carboxylate
CID 46394503

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[(2-fluoro-6-formylbenzoyl)amino]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[(2-fluoro-6-formylbenzoyl)amino]methyl]pyridine-2-carboxylate (CID 178053105) is methyl 6-[[(2-fluoro-6-formylbenzoyl)amino]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[(2-fluoro-6-formylbenzoyl)amino]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[(2-fluoro-6-formylbenzoyl)amino]methyl]pyridine-2-carboxylate is COC(=O)c1cccc(CNC(=O)c2c(F)cccc2C=O)n1.
What is the InChIKey of methyl 6-[[(2-fluoro-6-formylbenzoyl)amino]methyl]pyridine-2-carboxylate?
The InChIKey is YQIXRBMNJRYTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O4/c1-23-16(22)13-7-3-5-11(19-13)8-18-15(21)14-10(9-20)4-2-6-12(14)17/h2-7,9H,8H2,1H3,(H,18,21).
What are the key properties of methyl 6-[[(2-fluoro-6-formylbenzoyl)amino]methyl]pyridine-2-carboxylate?
methyl 6-[[(2-fluoro-6-formylbenzoyl)amino]methyl]pyridine-2-carboxylate has a molecular weight of 316.29 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[(2-fluoro-6-formylbenzoyl)amino]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 178053105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).