methyl 2-fluoro-5-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoate

C14H11FN2O4 — CID 103763630

IUPACmethyl 2-fluoro-5-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2cc[nH]c(=O)c2)ccc1F
InChIInChI=1S/C14H11FN2O4/c1-21-14(20)10-7-9(2-3-11(10)15)17-13(19)8-4-5-16-12(18)6-8/h2-7H,1H3,(H,16,18)(H,17,19)
InChIKeyXNITYUPPMJGAKW-UHFFFAOYSA-N
MW290.25 g/mol
LogP1.55
Rot. Bonds3

About methyl 2-fluoro-5-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoate

methyl 2-fluoro-5-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoate (PubChem CID 103763630) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is methyl 2-fluoro-5-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-5-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoate
PubChem CID103763630
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Namemethyl 2-fluoro-5-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2cc[nH]c(=O)c2)ccc1F
InChIInChI=1S/C14H11FN2O4/c1-21-14(20)10-7-9(2-3-11(10)15)17-13(19)8-4-5-16-12(18)6-8/h2-7H,1H3,(H,16,18)(H,17,19)
InChIKeyXNITYUPPMJGAKW-UHFFFAOYSA-N
XLogP1.55
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4-fluorophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765200
N-(3-hydroxy-4-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 113290193
N-(6-methoxy-3-pyridinyl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257121
methyl 5-[(2-chloroacetyl)amino]-2-fluorobenzoate
CID 43346810
methyl 5-[(2-cyanoacetyl)amino]-2-fluorobenzoate
CID 168520431
methyl 5-[(2-chloro-2-fluoroacetyl)amino]-2-fluorobenzoate
CID 166427679
N-(4-chloro-2-fluorophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103762635
methyl 2-fluoro-5-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 112686654
methyl 5-[(6-chloropyridine-2-carbonyl)amino]-2-fluorobenzoate
CID 62235265
methyl 2-fluoro-5-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 32709892
methyl 2-fluoro-5-(piperidine-4-carbonylamino)benzoate
CID 43707540
4-(4-fluoro-3-methoxycarbonylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496474

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-5-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-fluoro-5-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoate (CID 103763630) is methyl 2-fluoro-5-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-fluoro-5-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-fluoro-5-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoate is COC(=O)c1cc(NC(=O)c2cc[nH]c(=O)c2)ccc1F.
What is the InChIKey of methyl 2-fluoro-5-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoate?
The InChIKey is XNITYUPPMJGAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c1-21-14(20)10-7-9(2-3-11(10)15)17-13(19)8-4-5-16-12(18)6-8/h2-7H,1H3,(H,16,18)(H,17,19).
What are the key properties of methyl 2-fluoro-5-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoate?
methyl 2-fluoro-5-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoate has a molecular weight of 290.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-5-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoate is sourced from PubChem (CID 103763630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).