N-(5-bromo-4-methylpyridine-3-carbonyl)-N-ethyl-methylboronamidic acid

C10H14BBrN2O2 — CID 58654509

IUPACN-(5-bromo-4-methylpyridine-3-carbonyl)-N-ethyl-methylboronamidic acid
SMILESCCN(B(C)O)C(=O)c1cncc(Br)c1C
InChIInChI=1S/C10H14BBrN2O2/c1-4-14(11(3)16)10(15)8-5-13-6-9(12)7(8)2/h5-6,16H,4H2,1-3H3
InChIKeyGPTRZCYONJKTLH-UHFFFAOYSA-N
MW284.95 g/mol
LogP1.72
Rot. Bonds3

About N-(5-bromo-4-methylpyridine-3-carbonyl)-N-ethyl-methylboronamidic acid

N-(5-bromo-4-methylpyridine-3-carbonyl)-N-ethyl-methylboronamidic acid (PubChem CID 58654509) has the molecular formula C10H14BBrN2O2 and a molecular weight of 284.95 g/mol. Its IUPAC name is N-(5-bromo-4-methylpyridine-3-carbonyl)-N-ethyl-methylboronamidic acid.

Molecular Properties

Compound NameN-(5-bromo-4-methylpyridine-3-carbonyl)-N-ethyl-methylboronamidic acid
PubChem CID58654509
Molecular FormulaC10H14BBrN2O2
Molecular Weight284.95 g/mol
Exact Mass284.03
IUPAC NameN-(5-bromo-4-methylpyridine-3-carbonyl)-N-ethyl-methylboronamidic acid
SMILESCCN(B(C)O)C(=O)c1cncc(Br)c1C
InChIInChI=1S/C10H14BBrN2O2/c1-4-14(11(3)16)10(15)8-5-13-6-9(12)7(8)2/h5-6,16H,4H2,1-3H3
InChIKeyGPTRZCYONJKTLH-UHFFFAOYSA-N
XLogP1.72
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.95
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(5-bromo-4-methylpyridine-3-carbonyl)-N-ethyl-methylboronamidic acid?
The IUPAC name of N-(5-bromo-4-methylpyridine-3-carbonyl)-N-ethyl-methylboronamidic acid (CID 58654509) is N-(5-bromo-4-methylpyridine-3-carbonyl)-N-ethyl-methylboronamidic acid.
What is the SMILES notation for N-(5-bromo-4-methylpyridine-3-carbonyl)-N-ethyl-methylboronamidic acid?
The canonical SMILES for N-(5-bromo-4-methylpyridine-3-carbonyl)-N-ethyl-methylboronamidic acid is CCN(B(C)O)C(=O)c1cncc(Br)c1C.
What is the InChIKey of N-(5-bromo-4-methylpyridine-3-carbonyl)-N-ethyl-methylboronamidic acid?
The InChIKey is GPTRZCYONJKTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BBrN2O2/c1-4-14(11(3)16)10(15)8-5-13-6-9(12)7(8)2/h5-6,16H,4H2,1-3H3.
What are the key properties of N-(5-bromo-4-methylpyridine-3-carbonyl)-N-ethyl-methylboronamidic acid?
N-(5-bromo-4-methylpyridine-3-carbonyl)-N-ethyl-methylboronamidic acid has a molecular weight of 284.95 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methylpyridine-3-carbonyl)-N-ethyl-methylboronamidic acid is sourced from PubChem (CID 58654509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).