lithium (5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide

C14H24BFLiNO3 — CID 53216963

IUPAClithium (5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide
SMILESCC(C)O[B-](OC(C)C)(OC(C)C)c1ccc(F)cn1.[Li+]
InChIInChI=1S/C14H24BFNO3.Li/c1-10(2)18-15(19-11(3)4,20-12(5)6)14-8-7-13(16)9-17-14;/h7-12H,1-6H3;/q-1;+1
InChIKeyFQEAHNZSKQCBRK-UHFFFAOYSA-N
MW291.10 g/mol
LogP-0.35
Rot. Bonds7

About lithium (5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide

lithium (5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide (PubChem CID 53216963) has the molecular formula C14H24BFLiNO3 and a molecular weight of 291.10 g/mol. Its IUPAC name is lithium (5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide.

Molecular Properties

Compound Namelithium (5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide
PubChem CID53216963
Molecular FormulaC14H24BFLiNO3
Molecular Weight291.10 g/mol
Exact Mass291.20
IUPAC Namelithium (5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide
SMILESCC(C)O[B-](OC(C)C)(OC(C)C)c1ccc(F)cn1.[Li+]
InChIInChI=1S/C14H24BFNO3.Li/c1-10(2)18-15(19-11(3)4,20-12(5)6)14-8-7-13(16)9-17-14;/h7-12H,1-6H3;/q-1;+1
InChIKeyFQEAHNZSKQCBRK-UHFFFAOYSA-N
XLogP-0.35
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.10
LogP ≤ 5-0.35
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

(5-fluoro-2-pyridinyl)-trihydroxyboranuide
CID 56973083
potassium trifluoro-(5-fluoro-2-pyridinyl)boranuide
CID 46739285
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CID 122208545
lithium (5-methyl-1,3-thiazol-2-yl)-tri(propan-2-yloxy)boranuide
CID 163353578
2,5-difluoropyridine;ethane
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2-[(2S)-3,3-dimethylbutan-2-yl]-5-fluoropyridine
CID 59539521
1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 58180918
methyl 3-(5-fluoro-2-pyridinyl)-2-hydroxybutanoate
CID 83128638
2,2-difluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]ethanamine
CID 83119275
3,3-diethoxy-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112583457
(1R)-1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]ethanol
CID 100670630
bis(1-fluoro-4-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;methane
CID 158662647

Frequently Asked Questions

What is the IUPAC name of lithium (5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide?
The IUPAC name of lithium (5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide (CID 53216963) is lithium (5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide.
What is the SMILES notation for lithium (5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide?
The canonical SMILES for lithium (5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide is CC(C)O[B-](OC(C)C)(OC(C)C)c1ccc(F)cn1.[Li+].
What is the InChIKey of lithium (5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide?
The InChIKey is FQEAHNZSKQCBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BFNO3.Li/c1-10(2)18-15(19-11(3)4,20-12(5)6)14-8-7-13(16)9-17-14;/h7-12H,1-6H3;/q-1;+1.
What are the key properties of lithium (5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide?
lithium (5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide has a molecular weight of 291.10 g/mol, XLogP of -0.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide is sourced from PubChem (CID 53216963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).