[2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]boronic acid

C19H16BFN2O4 — CID 59446426

IUPAC[2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]boronic acid
SMILESO=C(Nc1ccc(F)cc1)c1ccc(OCc2ccccc2B(O)O)nc1
InChIInChI=1S/C19H16BFN2O4/c21-15-6-8-16(9-7-15)23-19(24)13-5-10-18(22-11-13)27-12-14-3-1-2-4-17(14)20(25)26/h1-11,25-26H,12H2,(H,23,24)
InChIKeyVKJGRHLPMNAWOM-UHFFFAOYSA-N
MW366.16 g/mol
LogP1.73
Rot. Bonds6

About [2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]boronic acid

[2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]boronic acid (PubChem CID 59446426) has the molecular formula C19H16BFN2O4 and a molecular weight of 366.16 g/mol. Its IUPAC name is [2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]boronic acid.

Molecular Properties

Compound Name[2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]boronic acid
PubChem CID59446426
Molecular FormulaC19H16BFN2O4
Molecular Weight366.16 g/mol
Exact Mass366.12
IUPAC Name[2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]boronic acid
SMILESO=C(Nc1ccc(F)cc1)c1ccc(OCc2ccccc2B(O)O)nc1
InChIInChI=1S/C19H16BFN2O4/c21-15-6-8-16(9-7-15)23-19(24)13-5-10-18(22-11-13)27-12-14-3-1-2-4-17(14)20(25)26/h1-11,25-26H,12H2,(H,23,24)
InChIKeyVKJGRHLPMNAWOM-UHFFFAOYSA-N
XLogP1.73
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.16
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368181
3-methylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
CID 15981317
N-(4-fluorophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109158776
[2-[[5-[[4-(trifluoromethoxy)phenyl]carbamoyl]-2-pyridinyl]sulfanylmethyl]phenyl]boronic acid
CID 59446381
(4-chlorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
CID 15980829
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
N-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide
CID 87002406
methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate
CID 58368225
6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 55509070
N-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246780
6-(4-acetamidoanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163310
N-(4-fluorophenyl)-6-(2-phenoxyethylsulfanyl)pyridine-3-carboxamide
CID 46896585

Frequently Asked Questions

What is the IUPAC name of [2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]boronic acid?
The IUPAC name of [2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]boronic acid (CID 59446426) is [2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]boronic acid.
What is the SMILES notation for [2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]boronic acid?
The canonical SMILES for [2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]boronic acid is O=C(Nc1ccc(F)cc1)c1ccc(OCc2ccccc2B(O)O)nc1.
What is the InChIKey of [2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]boronic acid?
The InChIKey is VKJGRHLPMNAWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BFN2O4/c21-15-6-8-16(9-7-15)23-19(24)13-5-10-18(22-11-13)27-12-14-3-1-2-4-17(14)20(25)26/h1-11,25-26H,12H2,(H,23,24).
What are the key properties of [2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]boronic acid?
[2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]boronic acid has a molecular weight of 366.16 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]boronic acid is sourced from PubChem (CID 59446426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).