[5-[(1-fluorocyclopropyl)methylcarbamoyl]-6-methoxy-2-pyridinyl]boronic acid

C11H14BFN2O4 — CID 172609993

IUPAC[5-[(1-fluorocyclopropyl)methylcarbamoyl]-6-methoxy-2-pyridinyl]boronic acid
SMILESCOc1nc(B(O)O)ccc1C(=O)NCC1(F)CC1
InChIInChI=1S/C11H14BFN2O4/c1-19-10-7(2-3-8(15-10)12(17)18)9(16)14-6-11(13)4-5-11/h2-3,17-18H,4-6H2,1H3,(H,14,16)
InChIKeyCWJDJVFOJVSDON-UHFFFAOYSA-N
MW268.05 g/mol
LogP-1.00
Rot. Bonds5

About [5-[(1-fluorocyclopropyl)methylcarbamoyl]-6-methoxy-2-pyridinyl]boronic acid

[5-[(1-fluorocyclopropyl)methylcarbamoyl]-6-methoxy-2-pyridinyl]boronic acid (PubChem CID 172609993) has the molecular formula C11H14BFN2O4 and a molecular weight of 268.05 g/mol. Its IUPAC name is [5-[(1-fluorocyclopropyl)methylcarbamoyl]-6-methoxy-2-pyridinyl]boronic acid.

Molecular Properties

Compound Name[5-[(1-fluorocyclopropyl)methylcarbamoyl]-6-methoxy-2-pyridinyl]boronic acid
PubChem CID172609993
Molecular FormulaC11H14BFN2O4
Molecular Weight268.05 g/mol
Exact Mass268.10
IUPAC Name[5-[(1-fluorocyclopropyl)methylcarbamoyl]-6-methoxy-2-pyridinyl]boronic acid
SMILESCOc1nc(B(O)O)ccc1C(=O)NCC1(F)CC1
InChIInChI=1S/C11H14BFN2O4/c1-19-10-7(2-3-8(15-10)12(17)18)9(16)14-6-11(13)4-5-11/h2-3,17-18H,4-6H2,1H3,(H,14,16)
InChIKeyCWJDJVFOJVSDON-UHFFFAOYSA-N
XLogP-1.00
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.05
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(1-fluorocyclopropyl)methylcarbamoyl]-6-methoxy-2-pyridinyl]boronic acid?
The IUPAC name of [5-[(1-fluorocyclopropyl)methylcarbamoyl]-6-methoxy-2-pyridinyl]boronic acid (CID 172609993) is [5-[(1-fluorocyclopropyl)methylcarbamoyl]-6-methoxy-2-pyridinyl]boronic acid.
What is the SMILES notation for [5-[(1-fluorocyclopropyl)methylcarbamoyl]-6-methoxy-2-pyridinyl]boronic acid?
The canonical SMILES for [5-[(1-fluorocyclopropyl)methylcarbamoyl]-6-methoxy-2-pyridinyl]boronic acid is COc1nc(B(O)O)ccc1C(=O)NCC1(F)CC1.
What is the InChIKey of [5-[(1-fluorocyclopropyl)methylcarbamoyl]-6-methoxy-2-pyridinyl]boronic acid?
The InChIKey is CWJDJVFOJVSDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BFN2O4/c1-19-10-7(2-3-8(15-10)12(17)18)9(16)14-6-11(13)4-5-11/h2-3,17-18H,4-6H2,1H3,(H,14,16).
What are the key properties of [5-[(1-fluorocyclopropyl)methylcarbamoyl]-6-methoxy-2-pyridinyl]boronic acid?
[5-[(1-fluorocyclopropyl)methylcarbamoyl]-6-methoxy-2-pyridinyl]boronic acid has a molecular weight of 268.05 g/mol, XLogP of -1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1-fluorocyclopropyl)methylcarbamoyl]-6-methoxy-2-pyridinyl]boronic acid is sourced from PubChem (CID 172609993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).