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

C14H24BFNO3- — CID 53216964

IUPAC(5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide
SMILESCC(C)O[B-](OC(C)C)(OC(C)C)c1ccc(F)cn1
InChIInChI=1S/C14H24BFNO3/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
InChIKeyAWBULQYPXVSXKC-UHFFFAOYSA-N
MW284.16 g/mol
LogP2.64
Rot. Bonds7

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

(5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide (PubChem CID 53216964) has the molecular formula C14H24BFNO3- and a molecular weight of 284.16 g/mol. Its IUPAC name is (5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide.

Molecular Properties

Compound Name(5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide
PubChem CID53216964
Molecular FormulaC14H24BFNO3-
Molecular Weight284.16 g/mol
Exact Mass284.18
IUPAC Name(5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide
SMILESCC(C)O[B-](OC(C)C)(OC(C)C)c1ccc(F)cn1
InChIInChI=1S/C14H24BFNO3/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
InChIKeyAWBULQYPXVSXKC-UHFFFAOYSA-N
XLogP2.64
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide?
The IUPAC name of (5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide (CID 53216964) is (5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide.
What is the SMILES notation for (5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide?
The canonical SMILES for (5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide is CC(C)O[B-](OC(C)C)(OC(C)C)c1ccc(F)cn1.
What is the InChIKey of (5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide?
The InChIKey is AWBULQYPXVSXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BFNO3/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.
What are the key properties of (5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide?
(5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide has a molecular weight of 284.16 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-pyridinyl)-tri(propan-2-yloxy)boranuide is sourced from PubChem (CID 53216964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).