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

C12H9BrN4 — CID 156782671

IUPAC4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
SMILESNc1cc(-c2c[nH]c3ncc(Br)cc23)ccn1
InChIInChI=1S/C12H9BrN4/c13-8-4-9-10(6-17-12(9)16-5-8)7-1-2-15-11(14)3-7/h1-6H,(H2,14,15)(H,16,17)
InChIKeyMFYHSDLERSXUAT-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.97
Rot. Bonds1

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

4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine (PubChem CID 156782671) has the molecular formula C12H9BrN4 and a molecular weight of 289.14 g/mol. Its IUPAC name is 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
PubChem CID156782671
Molecular FormulaC12H9BrN4
Molecular Weight289.14 g/mol
Exact Mass288.00
IUPAC Name4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
SMILESNc1cc(-c2c[nH]c3ncc(Br)cc23)ccn1
InChIInChI=1S/C12H9BrN4/c13-8-4-9-10(6-17-12(9)16-5-8)7-1-2-15-11(14)3-7/h1-6H,(H2,14,15)(H,16,17)
InChIKeyMFYHSDLERSXUAT-UHFFFAOYSA-N
XLogP2.97
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The IUPAC name of 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine (CID 156782671) is 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine.
What is the SMILES notation for 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The canonical SMILES for 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine is Nc1cc(-c2c[nH]c3ncc(Br)cc23)ccn1.
What is the InChIKey of 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The InChIKey is MFYHSDLERSXUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4/c13-8-4-9-10(6-17-12(9)16-5-8)7-1-2-15-11(14)3-7/h1-6H,(H2,14,15)(H,16,17).
What are the key properties of 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine has a molecular weight of 289.14 g/mol, XLogP of 2.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine is sourced from PubChem (CID 156782671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).