N-(5-bromo-2-pyridinyl)-4,5-dichloro-1H-pyrrole-2-carboxamide

C10H6BrCl2N3O — CID 60713589

IUPACN-(5-bromo-2-pyridinyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C10H6BrCl2N3O/c11-5-1-2-8(14-4-5)16-10(17)7-3-6(12)9(13)15-7/h1-4,15H,(H,14,16,17)
InChIKeyFFXOBXJTUBZUSB-UHFFFAOYSA-N
MW334.99 g/mol
LogP3.73
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)-4,5-dichloro-1H-pyrrole-2-carboxamide

N-(5-bromo-2-pyridinyl)-4,5-dichloro-1H-pyrrole-2-carboxamide (PubChem CID 60713589) has the molecular formula C10H6BrCl2N3O and a molecular weight of 334.99 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4,5-dichloro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
PubChem CID60713589
Molecular FormulaC10H6BrCl2N3O
Molecular Weight334.99 g/mol
Exact Mass332.91
IUPAC NameN-(5-bromo-2-pyridinyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C10H6BrCl2N3O/c11-5-1-2-8(14-4-5)16-10(17)7-3-6(12)9(13)15-7/h1-4,15H,(H,14,16,17)
InChIKeyFFXOBXJTUBZUSB-UHFFFAOYSA-N
XLogP3.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.99
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(5-bromo-2-pyridinyl)-2-chlorobenzamide
CID 61060806
N-(5-bromo-2-pyridinyl)-1H-pyrazole-5-carboxamide
CID 60778171
N-(5-bromo-2-pyridinyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 63235867
N-(5-bromo-2-pyridinyl)-2,6-dichloropyridine-4-carboxamide
CID 43132088
N-(5-bromo-1,3-thiazol-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 60785288
N-(5-bromo-2-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 43806529
N-(5-bromo-2-pyridinyl)-2-[(2-chlorobenzoyl)amino]benzamide
CID 1268365
N-(5-bromo-2-pyridinyl)-4-chloropyridine-2-carboxamide
CID 43111935
N-(5-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 103604536
4,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)-1H-pyrrole-2-carboxamide
CID 114074743
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzamide
CID 28893277
N-(5-bromo-2-pyridinyl)-4-iodobenzamide
CID 4066488

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4,5-dichloro-1H-pyrrole-2-carboxamide (CID 60713589) is N-(5-bromo-2-pyridinyl)-4,5-dichloro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4,5-dichloro-1H-pyrrole-2-carboxamide is O=C(Nc1ccc(Br)cn1)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
The InChIKey is FFXOBXJTUBZUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2N3O/c11-5-1-2-8(14-4-5)16-10(17)7-3-6(12)9(13)15-7/h1-4,15H,(H,14,16,17).
What are the key properties of N-(5-bromo-2-pyridinyl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
N-(5-bromo-2-pyridinyl)-4,5-dichloro-1H-pyrrole-2-carboxamide has a molecular weight of 334.99 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4,5-dichloro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 60713589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).