4-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C10H10BrN3O — CID 59506850

IUPAC4-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1c[nH]c2nccc(Br)c12
InChIInChI=1S/C10H10BrN3O/c1-14(2)10(15)6-5-13-9-8(6)7(11)3-4-12-9/h3-5H,1-2H3,(H,12,13)
InChIKeyVJMZJEJKIMSXPD-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.03
Rot. Bonds1

About 4-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

4-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 59506850) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 4-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID59506850
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name4-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1c[nH]c2nccc(Br)c12
InChIInChI=1S/C10H10BrN3O/c1-14(2)10(15)6-5-13-9-8(6)7(11)3-4-12-9/h3-5H,1-2H3,(H,12,13)
InChIKeyVJMZJEJKIMSXPD-UHFFFAOYSA-N
XLogP2.03
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 4-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 59506850) is 4-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 4-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 4-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is CN(C)C(=O)c1c[nH]c2nccc(Br)c12.
What is the InChIKey of 4-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is VJMZJEJKIMSXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-14(2)10(15)6-5-13-9-8(6)7(11)3-4-12-9/h3-5H,1-2H3,(H,12,13).
What are the key properties of 4-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
4-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 268.11 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 59506850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).