2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-6-fluorobenzoic acid

C12H8FN3O5 — CID 43442864

IUPAC2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1NC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H8FN3O5/c13-6-2-1-3-7(8(6)11(19)20)15-9(17)5-4-14-12(21)16-10(5)18/h1-4H,(H,15,17)(H,19,20)(H2,14,16,18,21)
InChIKeyGLWUGNFORKUXPI-UHFFFAOYSA-N
MW293.21 g/mol
LogP0.15
Rot. Bonds3

About 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-6-fluorobenzoic acid

2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-6-fluorobenzoic acid (PubChem CID 43442864) has the molecular formula C12H8FN3O5 and a molecular weight of 293.21 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-6-fluorobenzoic acid
PubChem CID43442864
Molecular FormulaC12H8FN3O5
Molecular Weight293.21 g/mol
Exact Mass293.04
IUPAC Name2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1NC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H8FN3O5/c13-6-2-1-3-7(8(6)11(19)20)15-9(17)5-4-14-12(21)16-10(5)18/h1-4H,(H,15,17)(H,19,20)(H2,14,16,18,21)
InChIKeyGLWUGNFORKUXPI-UHFFFAOYSA-N
XLogP0.15
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid
CID 28773270
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid
CID 28773366
N-(2-aminophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 43599993
N-[2-(hydroxymethyl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 60653296
2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid
CID 13390039
2-benzamido-6-fluorobenzoic acid
CID 13389963
N-(4-bromo-2,5-difluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 107612322
5-bromo-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid
CID 62073266
N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110864096
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,4-difluorobenzamide
CID 108797381
2-[(3-chloro-2-methylbenzoyl)amino]-6-fluorobenzoic acid
CID 107095848
2-chloro-6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid
CID 63724627

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-6-fluorobenzoic acid?
The IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-6-fluorobenzoic acid (CID 43442864) is 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-6-fluorobenzoic acid.
What is the SMILES notation for 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-6-fluorobenzoic acid?
The canonical SMILES for 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-6-fluorobenzoic acid is O=C(O)c1c(F)cccc1NC(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-6-fluorobenzoic acid?
The InChIKey is GLWUGNFORKUXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O5/c13-6-2-1-3-7(8(6)11(19)20)15-9(17)5-4-14-12(21)16-10(5)18/h1-4H,(H,15,17)(H,19,20)(H2,14,16,18,21).
What are the key properties of 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-6-fluorobenzoic acid?
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-6-fluorobenzoic acid has a molecular weight of 293.21 g/mol, XLogP of 0.15, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-6-fluorobenzoic acid is sourced from PubChem (CID 43442864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).