methyl 2-fluoro-5-[(6-methylpyridine-2-carbonyl)amino]benzoate

C15H13FN2O3 — CID 32709892

IUPACmethyl 2-fluoro-5-[(6-methylpyridine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2cccc(C)n2)ccc1F
InChIInChI=1S/C15H13FN2O3/c1-9-4-3-5-13(17-9)14(19)18-10-6-7-12(16)11(8-10)15(20)21-2/h3-8H,1-2H3,(H,18,19)
InChIKeyONYBSKVZBRKHDB-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.57
Rot. Bonds3

About methyl 2-fluoro-5-[(6-methylpyridine-2-carbonyl)amino]benzoate

methyl 2-fluoro-5-[(6-methylpyridine-2-carbonyl)amino]benzoate (PubChem CID 32709892) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is methyl 2-fluoro-5-[(6-methylpyridine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-5-[(6-methylpyridine-2-carbonyl)amino]benzoate
PubChem CID32709892
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Namemethyl 2-fluoro-5-[(6-methylpyridine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2cccc(C)n2)ccc1F
InChIInChI=1S/C15H13FN2O3/c1-9-4-3-5-13(17-9)14(19)18-10-6-7-12(16)11(8-10)15(20)21-2/h3-8H,1-2H3,(H,18,19)
InChIKeyONYBSKVZBRKHDB-UHFFFAOYSA-N
XLogP2.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(6-chloropyridine-2-carbonyl)amino]-2-fluorobenzoate
CID 62235265
methyl 4-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 31703569
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide
CID 55765678
methyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate
CID 3926848
methyl 5-[(2-chloroacetyl)amino]-2-fluorobenzoate
CID 43346810
6-N-(3,4-difluorophenyl)-2-N-(3,4-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109100456
N-(4-aminophenyl)-6-methylpyridine-2-carboxamide
CID 16784436
N-(4-iodophenyl)-6-methylpyridine-2-carboxamide
CID 31777667
6-N-(3,4-difluorophenyl)-2-N-(3-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100953
methyl 2-fluoro-5-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate
CID 30469108
methyl 2-fluoro-5-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]benzoate
CID 75414818

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-5-[(6-methylpyridine-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-fluoro-5-[(6-methylpyridine-2-carbonyl)amino]benzoate (CID 32709892) is methyl 2-fluoro-5-[(6-methylpyridine-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-fluoro-5-[(6-methylpyridine-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-fluoro-5-[(6-methylpyridine-2-carbonyl)amino]benzoate is COC(=O)c1cc(NC(=O)c2cccc(C)n2)ccc1F.
What is the InChIKey of methyl 2-fluoro-5-[(6-methylpyridine-2-carbonyl)amino]benzoate?
The InChIKey is ONYBSKVZBRKHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-9-4-3-5-13(17-9)14(19)18-10-6-7-12(16)11(8-10)15(20)21-2/h3-8H,1-2H3,(H,18,19).
What are the key properties of methyl 2-fluoro-5-[(6-methylpyridine-2-carbonyl)amino]benzoate?
methyl 2-fluoro-5-[(6-methylpyridine-2-carbonyl)amino]benzoate has a molecular weight of 288.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-5-[(6-methylpyridine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 32709892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).