N-(5-bromo-6-methyl-2-pyridinyl)-4-chloro-1H-pyrrole-2-carboxamide

C11H9BrClN3O — CID 79049259

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-4-chloro-1H-pyrrole-2-carboxamide
SMILESCc1nc(NC(=O)c2cc(Cl)c[nH]2)ccc1Br
InChIInChI=1S/C11H9BrClN3O/c1-6-8(12)2-3-10(15-6)16-11(17)9-4-7(13)5-14-9/h2-5,14H,1H3,(H,15,16,17)
InChIKeyLBESPXKYAUNEIF-UHFFFAOYSA-N
MW314.57 g/mol
LogP3.39
Rot. Bonds2

About N-(5-bromo-6-methyl-2-pyridinyl)-4-chloro-1H-pyrrole-2-carboxamide

N-(5-bromo-6-methyl-2-pyridinyl)-4-chloro-1H-pyrrole-2-carboxamide (PubChem CID 79049259) has the molecular formula C11H9BrClN3O and a molecular weight of 314.57 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-4-chloro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-4-chloro-1H-pyrrole-2-carboxamide
PubChem CID79049259
Molecular FormulaC11H9BrClN3O
Molecular Weight314.57 g/mol
Exact Mass312.96
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-4-chloro-1H-pyrrole-2-carboxamide
SMILESCc1nc(NC(=O)c2cc(Cl)c[nH]2)ccc1Br
InChIInChI=1S/C11H9BrClN3O/c1-6-8(12)2-3-10(15-6)16-11(17)9-4-7(13)5-14-9/h2-5,14H,1H3,(H,15,16,17)
InChIKeyLBESPXKYAUNEIF-UHFFFAOYSA-N
XLogP3.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 103715596
N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide
CID 4509260
4-bromo-N-(5-bromo-6-methyl-2-pyridinyl)benzamide
CID 4509258
N-(5-bromo-6-methyl-2-pyridinyl)-1H-indole-2-carboxamide
CID 79049257
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-5-iodobenzamide
CID 4509262
N-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridine-2-carboxamide
CID 79048918
N-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide
CID 79048080
N-(5-bromo-6-methyl-2-pyridinyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 79048283
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide
CID 71987347
N-(5-bromo-6-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide
CID 79048667
6-amino-N-(5-bromo-6-methyl-2-pyridinyl)pyridazine-3-carboxamide
CID 79049219
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 79048306

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-4-chloro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-4-chloro-1H-pyrrole-2-carboxamide (CID 79049259) is N-(5-bromo-6-methyl-2-pyridinyl)-4-chloro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-4-chloro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-4-chloro-1H-pyrrole-2-carboxamide is Cc1nc(NC(=O)c2cc(Cl)c[nH]2)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-4-chloro-1H-pyrrole-2-carboxamide?
The InChIKey is LBESPXKYAUNEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O/c1-6-8(12)2-3-10(15-6)16-11(17)9-4-7(13)5-14-9/h2-5,14H,1H3,(H,15,16,17).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-4-chloro-1H-pyrrole-2-carboxamide?
N-(5-bromo-6-methyl-2-pyridinyl)-4-chloro-1H-pyrrole-2-carboxamide has a molecular weight of 314.57 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-4-chloro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 79049259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).