methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate

C14H11FN2O3 — CID 115496994

IUPACmethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cccc(F)n2)c1
InChIInChI=1S/C14H11FN2O3/c1-20-14(19)9-4-2-5-10(8-9)16-13(18)11-6-3-7-12(15)17-11/h2-8H,1H3,(H,16,18)
InChIKeyNVLHPFOFYQHBHK-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.26
Rot. Bonds3

About methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate

methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate (PubChem CID 115496994) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
PubChem CID115496994
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Namemethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cccc(F)n2)c1
InChIInChI=1S/C14H11FN2O3/c1-20-14(19)9-4-2-5-10(8-9)16-13(18)11-6-3-7-12(15)17-11/h2-8H,1H3,(H,16,18)
InChIKeyNVLHPFOFYQHBHK-UHFFFAOYSA-N
XLogP2.26
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115497035
methyl 3-[[6-(tert-butylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109099195
methyl 3-[[6-(2-methylpropylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109094522
methyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate
CID 3926848
methyl 3-(pyrimidine-4-carbonylamino)benzoate
CID 110699213
N-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide
CID 115497227
methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate
CID 110861657
methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate
CID 103817046
methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate
CID 62958863
methyl 3-(pyrazine-2-carbonylamino)benzoate
CID 862107
N-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide
CID 115496681
methyl 3-[[2-[(4-fluorophenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate
CID 109092752

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate (CID 115496994) is methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2cccc(F)n2)c1.
What is the InChIKey of methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate?
The InChIKey is NVLHPFOFYQHBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c1-20-14(19)9-4-2-5-10(8-9)16-13(18)11-6-3-7-12(15)17-11/h2-8H,1H3,(H,16,18).
What are the key properties of methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate?
methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate has a molecular weight of 274.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 115496994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).