lithium 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine

C15H20BFLiN3O3 — CID 162760827

IUPAClithium 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine
SMILESCn1cc([B-]2(O)OC(C)(C)C(C)(C)O2)c(-c2ccc(F)cn2)n1.[Li+]
InChIInChI=1S/C15H20BFN3O3.Li/c1-14(2)15(3,4)23-16(21,22-14)11-9-20(5)19-13(11)12-7-6-10(17)8-18-12;/h6-9,21H,1-5H3;/q-1;+1
InChIKeyALHIAPWDZXRIEG-UHFFFAOYSA-N
MW327.09 g/mol
LogP-1.63
Rot. Bonds2

About lithium 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine

lithium 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine (PubChem CID 162760827) has the molecular formula C15H20BFLiN3O3 and a molecular weight of 327.09 g/mol. Its IUPAC name is lithium 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine.

Molecular Properties

Compound Namelithium 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine
PubChem CID162760827
Molecular FormulaC15H20BFLiN3O3
Molecular Weight327.09 g/mol
Exact Mass327.17
IUPAC Namelithium 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine
SMILESCn1cc([B-]2(O)OC(C)(C)C(C)(C)O2)c(-c2ccc(F)cn2)n1.[Li+]
InChIInChI=1S/C15H20BFN3O3.Li/c1-14(2)15(3,4)23-16(21,22-14)11-9-20(5)19-13(11)12-7-6-10(17)8-18-12;/h6-9,21H,1-5H3;/q-1;+1
InChIKeyALHIAPWDZXRIEG-UHFFFAOYSA-N
XLogP-1.63
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.09
LogP ≤ 5-1.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze lithium 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-amine
CID 83216674
5-fluoro-2-[1-methyl-4-(5-methyl-1H-pyrrol-3-yl)pyrazol-3-yl]pyridine
CID 175460069
N-[[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]methyl]propan-1-amine
CID 83128228
3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol
CID 162760935
3-(5-fluoro-2-pyridinyl)-1-propylpyrazol-4-amine
CID 83222696
7-bromo-6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole
CID 162760266
3-(5-fluoro-2-pyridinyl)-5-methyl-4-[(1-methylpyrazol-3-yl)oxymethyl]-1,2-oxazole
CID 141279422
3-bromo-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760429
N-(1,3-dimethylpyrazol-4-yl)-5-fluoropyridin-2-amine
CID 102806096
4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1-[2-(oxetan-3-yl)propyl]pyrrolo[2,3-b]pyridine
CID 175920695
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 112585209
2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]acetic acid
CID 174641906

Frequently Asked Questions

What is the IUPAC name of lithium 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine?
The IUPAC name of lithium 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine (CID 162760827) is lithium 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine.
What is the SMILES notation for lithium 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine?
The canonical SMILES for lithium 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine is Cn1cc([B-]2(O)OC(C)(C)C(C)(C)O2)c(-c2ccc(F)cn2)n1.[Li+].
What is the InChIKey of lithium 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine?
The InChIKey is ALHIAPWDZXRIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BFN3O3.Li/c1-14(2)15(3,4)23-16(21,22-14)11-9-20(5)19-13(11)12-7-6-10(17)8-18-12;/h6-9,21H,1-5H3;/q-1;+1.
What are the key properties of lithium 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine?
lithium 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine has a molecular weight of 327.09 g/mol, XLogP of -1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-fluoro-2-[4-(2-hydroxy-4,4,5,5-tetramethyl-1,3-dioxa-2-boranuidacyclopent-2-yl)-1-methylpyrazol-3-yl]pyridine is sourced from PubChem (CID 162760827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).