CID 88587136

C14H8BF2N3O — CID 88587136

IUPAC—
SMILES[B]c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O
InChIInChI=1S/C14H8BF2N3O/c1-20-13-7(4-10(15)14(20)21)6-18-19-12(13)9-3-2-8(16)5-11(9)17/h2-6H,1H3
InChIKeyWRKNZKBVVRAVLL-UHFFFAOYSA-N
MW283.05 g/mol
LogP1.07
Rot. Bonds1

About CID 88587136

CID 88587136 (PubChem CID 88587136) has the molecular formula C14H8BF2N3O and a molecular weight of 283.05 g/mol.

Molecular Properties

Compound NameCID 88587136
PubChem CID88587136
Molecular FormulaC14H8BF2N3O
Molecular Weight283.05 g/mol
Exact Mass283.07
IUPAC Name—
SMILES[B]c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O
InChIInChI=1S/C14H8BF2N3O/c1-20-13-7(4-10(15)14(20)21)6-18-19-12(13)9-3-2-8(16)5-11(9)17/h2-6H,1H3
InChIKeyWRKNZKBVVRAVLL-UHFFFAOYSA-N
XLogP1.07
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.05
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(2,4-difluorophenyl)-3-(2,4-difluorophenylamino)-1-methylpyrido[3,2-d]pyridazin-2(1H)-one
CID 46185428
8-(2,4-Difluorophenyl)-3-(4-fluorophenylamino)-1-methylpyrido-[3,2-d]pyridazin-2(1H)-one
CID 46185682
8-(2,4-Difluorophenyl)-3-((4-fluorophenyl)(methyl)amino)-1-methylpyrido[3,2-d]pyridazin-2(1H)-one
CID 46930631
8-(2,4-Difluorophenyl)-3-[(2,4-difluorophenyl)methyl]-1-methylpyrido[2,3-d]pyridazin-2-one
CID 46930633
8-(2,4-Difluorophenyl)-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyridazin-2-one
CID 46930632
2-(7-((2S,5R)-2,5-diethyl-4-(1-(4-fluorophenyl)ethyl)piperazin-1-yl)-4-methyl-5-oxo-4,5-dihydro-2H-pyrazolo[4,3-b]pyridin-2-yl)acetonitrile
CID 172636867
2-(7-((2S,5R)-4-(2,4-difluorobenzyl)-2,5-diethylpiperazin-1-yl)-4-methyl-5-oxo-4,5-dihydro-2H-pyrazolo[4,3-b]pyridine-2-yl)acetonitrile
CID 172636879
2-(7-((2S,5R)-4-(1-(2,6-difluorophenyl)ethyl)-2,5-diethylpiperazin-1-yl)-4-methyl-5-oxo-4,5-dihydro-2H-pyrazolo[4,3-b]pyridin-2-yl)acetonitrile
CID 172636886
2-(7-((2S,5R)-4-(1-(2,4-difluorophenyl)ethyl)-2,5-diethylpiperazin-1-yl)-4-methyl-5-oxo-4,5-dihydro-2H-pyrazolo[4,3-b]pyridin-2-yl)acetonitrile
CID 172636939
2-[7-[(2S,5R)-4-[(1R)-1-(2,4-difluorophenyl)ethyl]-2,5-diethylpiperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile
CID 172636940
2-(7-((2S,5R)-4-(1-(3-fluorophenyl)ethyl)-2,5-dimethylpiperazin-1-yl)-4-methyl-5-oxo-4,5-dihydro-2H-pyrazolo[4,3-b]pyridin-2-yl)acetonitrile
CID 172637066
8-(2-fluorophenyl)-3-phenyl-1H-pyrido[2,3-d]pyridazin-2-one
CID 101396327

Frequently Asked Questions

What is the IUPAC name of CID 88587136?
The IUPAC name of CID 88587136 (CID 88587136) is not available.
What is the SMILES notation for CID 88587136?
The canonical SMILES for CID 88587136 is [B]c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O.
What is the InChIKey of CID 88587136?
The InChIKey is WRKNZKBVVRAVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BF2N3O/c1-20-13-7(4-10(15)14(20)21)6-18-19-12(13)9-3-2-8(16)5-11(9)17/h2-6H,1H3.
What are the key properties of CID 88587136?
CID 88587136 has a molecular weight of 283.05 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88587136 is sourced from PubChem (CID 88587136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).