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

C11H9BrN2O — CID 106884893

IUPAC(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone
SMILESO=C(c1c[nH]c2ncc(Br)cc12)C1CC1
InChIInChI=1S/C11H9BrN2O/c12-7-3-8-9(10(15)6-1-2-6)5-14-11(8)13-4-7/h3-6H,1-2H2,(H,13,14)
InChIKeyQLLNNTSTVBGQRJ-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.92
Rot. Bonds2

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

(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone (PubChem CID 106884893) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone
PubChem CID106884893
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone
SMILESO=C(c1c[nH]c2ncc(Br)cc12)C1CC1
InChIInChI=1S/C11H9BrN2O/c12-7-3-8-9(10(15)6-1-2-6)5-14-11(8)13-4-7/h3-6H,1-2H2,(H,13,14)
InChIKeyQLLNNTSTVBGQRJ-UHFFFAOYSA-N
XLogP2.92
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone?
The IUPAC name of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone (CID 106884893) is (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone.
What is the SMILES notation for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone?
The canonical SMILES for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone is O=C(c1c[nH]c2ncc(Br)cc12)C1CC1.
What is the InChIKey of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone?
The InChIKey is QLLNNTSTVBGQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c12-7-3-8-9(10(15)6-1-2-6)5-14-11(8)13-4-7/h3-6H,1-2H2,(H,13,14).
What are the key properties of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone?
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone has a molecular weight of 265.11 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclopropylmethanone is sourced from PubChem (CID 106884893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).