CID 88870300

C15H14BFN2O3 — CID 88870300

IUPAC—
SMILES[B]c1ccc(Nc2c(C(=O)OC)cc(C)c(=O)n2C)c(F)c1
InChIInChI=1S/C15H14BFN2O3/c1-8-6-10(15(21)22-3)13(19(2)14(8)20)18-12-5-4-9(16)7-11(12)17/h4-7,18H,1-3H3
InChIKeyRDAMXLUDUZTQCC-UHFFFAOYSA-N
MW300.10 g/mol
LogP1.16
Rot. Bonds3

About CID 88870300

CID 88870300 (PubChem CID 88870300) has the molecular formula C15H14BFN2O3 and a molecular weight of 300.10 g/mol.

Molecular Properties

Compound NameCID 88870300
PubChem CID88870300
Molecular FormulaC15H14BFN2O3
Molecular Weight300.10 g/mol
Exact Mass300.11
IUPAC Name—
SMILES[B]c1ccc(Nc2c(C(=O)OC)cc(C)c(=O)n2C)c(F)c1
InChIInChI=1S/C15H14BFN2O3/c1-8-6-10(15(21)22-3)13(19(2)14(8)20)18-12-5-4-9(16)7-11(12)17/h4-7,18H,1-3H3
InChIKeyRDAMXLUDUZTQCC-UHFFFAOYSA-N
XLogP1.16
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxopyridine-3-carboxylic acid
CID 91555123
2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 143439014
2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 59342492
methyl 5-cyano-2-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxylate
CID 66674175
CID 89010523
CID 89010523
2-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carbonyl]amino]oxyethyl (2S)-2-aminopropanoate
CID 89307323
methyl 2-[(4-bromo-2-fluorophenyl)methyl]-1,5-dimethyl-6-oxopyridine-3-carboxylate
CID 58360839
5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 143438987
CID 89023824
CID 89023824
CID 88942166
CID 88942166
N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-hydroxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 169436317
N-[2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-4-methylbenzenesulfinamide
CID 90829292

Frequently Asked Questions

What is the IUPAC name of CID 88870300?
The IUPAC name of CID 88870300 (CID 88870300) is not available.
What is the SMILES notation for CID 88870300?
The canonical SMILES for CID 88870300 is [B]c1ccc(Nc2c(C(=O)OC)cc(C)c(=O)n2C)c(F)c1.
What is the InChIKey of CID 88870300?
The InChIKey is RDAMXLUDUZTQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BFN2O3/c1-8-6-10(15(21)22-3)13(19(2)14(8)20)18-12-5-4-9(16)7-11(12)17/h4-7,18H,1-3H3.
What are the key properties of CID 88870300?
CID 88870300 has a molecular weight of 300.10 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88870300 is sourced from PubChem (CID 88870300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).