4-(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methylbenzamide

C15H11BrClN3O — CID 172556692

IUPAC4-(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2c[nH]c3ncc(Br)c(Cl)c23)cc1
InChIInChI=1S/C15H11BrClN3O/c1-18-15(21)9-4-2-8(3-5-9)10-6-19-14-12(10)13(17)11(16)7-20-14/h2-7H,1H3,(H,18,21)(H,19,20)
InChIKeyJBHBKPISDHLOAL-UHFFFAOYSA-N
MW364.63 g/mol
LogP4.01
Rot. Bonds2

About 4-(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methylbenzamide

4-(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methylbenzamide (PubChem CID 172556692) has the molecular formula C15H11BrClN3O and a molecular weight of 364.63 g/mol. Its IUPAC name is 4-(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methylbenzamide
PubChem CID172556692
Molecular FormulaC15H11BrClN3O
Molecular Weight364.63 g/mol
Exact Mass362.98
IUPAC Name4-(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2c[nH]c3ncc(Br)c(Cl)c23)cc1
InChIInChI=1S/C15H11BrClN3O/c1-18-15(21)9-4-2-8(3-5-9)10-6-19-14-12(10)13(17)11(16)7-20-14/h2-7H,1H3,(H,18,21)(H,19,20)
InChIKeyJBHBKPISDHLOAL-UHFFFAOYSA-N
XLogP4.01
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.63
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methylbenzamide?
The IUPAC name of 4-(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methylbenzamide (CID 172556692) is 4-(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methylbenzamide.
What is the SMILES notation for 4-(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methylbenzamide?
The canonical SMILES for 4-(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methylbenzamide is CNC(=O)c1ccc(-c2c[nH]c3ncc(Br)c(Cl)c23)cc1.
What is the InChIKey of 4-(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methylbenzamide?
The InChIKey is JBHBKPISDHLOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3O/c1-18-15(21)9-4-2-8(3-5-9)10-6-19-14-12(10)13(17)11(16)7-20-14/h2-7H,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methylbenzamide?
4-(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methylbenzamide has a molecular weight of 364.63 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methylbenzamide is sourced from PubChem (CID 172556692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).