[1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)cyclopropyl]methanamine

C11H12BrN3 — CID 84807832

IUPAC[1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)cyclopropyl]methanamine
SMILESNCC1(c2cc3ncc(Br)cc3[nH]2)CC1
InChIInChI=1S/C11H12BrN3/c12-7-3-9-8(14-5-7)4-10(15-9)11(6-13)1-2-11/h3-5,15H,1-2,6,13H2
InChIKeyPABBCARIZZNKJT-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.32
Rot. Bonds2

About [1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)cyclopropyl]methanamine

[1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)cyclopropyl]methanamine (PubChem CID 84807832) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is [1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)cyclopropyl]methanamine
PubChem CID84807832
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name[1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)cyclopropyl]methanamine
SMILESNCC1(c2cc3ncc(Br)cc3[nH]2)CC1
InChIInChI=1S/C11H12BrN3/c12-7-3-9-8(14-5-7)4-10(15-9)11(6-13)1-2-11/h3-5,15H,1-2,6,13H2
InChIKeyPABBCARIZZNKJT-UHFFFAOYSA-N
XLogP2.32
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)cyclopropyl]methanamine (CID 84807832) is [1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)cyclopropyl]methanamine is NCC1(c2cc3ncc(Br)cc3[nH]2)CC1.
What is the InChIKey of [1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)cyclopropyl]methanamine?
The InChIKey is PABBCARIZZNKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c12-7-3-9-8(14-5-7)4-10(15-9)11(6-13)1-2-11/h3-5,15H,1-2,6,13H2.
What are the key properties of [1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)cyclopropyl]methanamine?
[1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)cyclopropyl]methanamine has a molecular weight of 266.14 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)cyclopropyl]methanamine is sourced from PubChem (CID 84807832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).