5,6-dibromo-N-but-2-ynylpyridine-3-carboxamide

C10H8Br2N2O — CID 130665198

IUPAC5,6-dibromo-N-but-2-ynylpyridine-3-carboxamide
SMILESCC#CCNC(=O)c1cnc(Br)c(Br)c1
InChIInChI=1S/C10H8Br2N2O/c1-2-3-4-13-10(15)7-5-8(11)9(12)14-6-7/h5-6H,4H2,1H3,(H,13,15)
InChIKeySXEBPZKVRHTOIR-UHFFFAOYSA-N
MW332.00 g/mol
LogP2.36
Rot. Bonds2

About 5,6-dibromo-N-but-2-ynylpyridine-3-carboxamide

5,6-dibromo-N-but-2-ynylpyridine-3-carboxamide (PubChem CID 130665198) has the molecular formula C10H8Br2N2O and a molecular weight of 332.00 g/mol. Its IUPAC name is 5,6-dibromo-N-but-2-ynylpyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dibromo-N-but-2-ynylpyridine-3-carboxamide
PubChem CID130665198
Molecular FormulaC10H8Br2N2O
Molecular Weight332.00 g/mol
Exact Mass329.90
IUPAC Name5,6-dibromo-N-but-2-ynylpyridine-3-carboxamide
SMILESCC#CCNC(=O)c1cnc(Br)c(Br)c1
InChIInChI=1S/C10H8Br2N2O/c1-2-3-4-13-10(15)7-5-8(11)9(12)14-6-7/h5-6H,4H2,1H3,(H,13,15)
InChIKeySXEBPZKVRHTOIR-UHFFFAOYSA-N
XLogP2.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.00
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5,6-dibromo-N-(cyanomethyl)pyridine-3-carboxamide
CID 130626014
N-(2-amino-2-oxoethyl)-5,6-dibromopyridine-3-carboxamide
CID 131080965
5,6-dibromo-N-tert-butylpyridine-3-carboxamide
CID 130604799
N-but-2-ynyl-2,6-dichloropyridine-4-carboxamide
CID 115866916
4-bromo-N-but-2-ynyl-3-(trifluoromethyl)benzamide
CID 115866905
N-but-2-ynyl-3,4-dihydroxybenzamide
CID 103957730
N-but-2-ynyl-4-fluorobenzamide
CID 115866848
N-but-2-ynyl-2,5-dichloropyridine-4-carboxamide
CID 114918867
N-but-2-ynyl-3-hydroxy-4-methylbenzamide
CID 115993868
4-bromo-N-but-2-ynyl-1-propan-2-ylpyrrole-2-carboxamide
CID 115866879
N-but-2-ynylpyridine-4-carboxamide;ethane;molecular hydrogen;propane
CID 143542162
5-bromo-N-but-2-ynyl-2-hydroxybenzamide
CID 103871171

Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-N-but-2-ynylpyridine-3-carboxamide?
The IUPAC name of 5,6-dibromo-N-but-2-ynylpyridine-3-carboxamide (CID 130665198) is 5,6-dibromo-N-but-2-ynylpyridine-3-carboxamide.
What is the SMILES notation for 5,6-dibromo-N-but-2-ynylpyridine-3-carboxamide?
The canonical SMILES for 5,6-dibromo-N-but-2-ynylpyridine-3-carboxamide is CC#CCNC(=O)c1cnc(Br)c(Br)c1.
What is the InChIKey of 5,6-dibromo-N-but-2-ynylpyridine-3-carboxamide?
The InChIKey is SXEBPZKVRHTOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N2O/c1-2-3-4-13-10(15)7-5-8(11)9(12)14-6-7/h5-6H,4H2,1H3,(H,13,15).
What are the key properties of 5,6-dibromo-N-but-2-ynylpyridine-3-carboxamide?
5,6-dibromo-N-but-2-ynylpyridine-3-carboxamide has a molecular weight of 332.00 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-N-but-2-ynylpyridine-3-carboxamide is sourced from PubChem (CID 130665198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).