acetyl bromide;pyridine-2-carboxamide

C8H9BrN2O2 — CID 175817538

IUPACacetyl bromide;pyridine-2-carboxamide
SMILESCC(=O)Br.NC(=O)c1ccccn1
InChIInChI=1S/C6H6N2O.C2H3BrO/c7-6(9)5-3-1-2-4-8-5;1-2(3)4/h1-4H,(H2,7,9);1H3
InChIKeyBVTQJTMDZHGYSB-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.11
Rot. Bonds1

About acetyl bromide;pyridine-2-carboxamide

acetyl bromide;pyridine-2-carboxamide (PubChem CID 175817538) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is acetyl bromide;pyridine-2-carboxamide.

Molecular Properties

Compound Nameacetyl bromide;pyridine-2-carboxamide
PubChem CID175817538
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Nameacetyl bromide;pyridine-2-carboxamide
SMILESCC(=O)Br.NC(=O)c1ccccn1
InChIInChI=1S/C6H6N2O.C2H3BrO/c7-6(9)5-3-1-2-4-8-5;1-2(3)4/h1-4H,(H2,7,9);1H3
InChIKeyBVTQJTMDZHGYSB-UHFFFAOYSA-N
XLogP1.11
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;molecular hydrogen;pyridine-2-carboxamide
CID 145071770
propan-2-one;1-pyridin-2-ylethanone
CID 158043833
1-pyridin-2-ylethanone;dihydrochloride
CID 174550471
benzoic acid;pyridine-2-carboxamide
CID 67821051
2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide
CID 174601902
molecular iodine;1-pyridin-2-ylethanone
CID 169427217
tert-butyl carbamate;pyridine-2-carboxamide
CID 175209186
dioxane;pyridine-2-carboxamide
CID 174962613
bicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone
CID 22757609
1-methylpyrrol-2-amine;pyridine-2-carboxamide
CID 174903535
pyridine-2-carboxamide;thiophen-2-amine
CID 69368078
bis((2S)-2-hydroxy-2-phenylacetic acid);bis(pyridine-2-carboxamide)
CID 139198136

Frequently Asked Questions

What is the IUPAC name of acetyl bromide;pyridine-2-carboxamide?
The IUPAC name of acetyl bromide;pyridine-2-carboxamide (CID 175817538) is acetyl bromide;pyridine-2-carboxamide.
What is the SMILES notation for acetyl bromide;pyridine-2-carboxamide?
The canonical SMILES for acetyl bromide;pyridine-2-carboxamide is CC(=O)Br.NC(=O)c1ccccn1.
What is the InChIKey of acetyl bromide;pyridine-2-carboxamide?
The InChIKey is BVTQJTMDZHGYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O.C2H3BrO/c7-6(9)5-3-1-2-4-8-5;1-2(3)4/h1-4H,(H2,7,9);1H3.
What are the key properties of acetyl bromide;pyridine-2-carboxamide?
acetyl bromide;pyridine-2-carboxamide has a molecular weight of 245.08 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl bromide;pyridine-2-carboxamide is sourced from PubChem (CID 175817538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).