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

C10H11BrN2O — CID 167028485

IUPAC2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol
SMILESCC(C)(O)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C10H11BrN2O/c1-10(2,14)8-5-13-9-7(8)3-6(11)4-12-9/h3-5,14H,1-2H3,(H,12,13)
InChIKeyUWOILTRBBNDPDP-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.55
Rot. Bonds1

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

2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol (PubChem CID 167028485) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol
PubChem CID167028485
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol
SMILESCC(C)(O)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C10H11BrN2O/c1-10(2,14)8-5-13-9-7(8)3-6(11)4-12-9/h3-5,14H,1-2H3,(H,12,13)
InChIKeyUWOILTRBBNDPDP-UHFFFAOYSA-N
XLogP2.55
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol?
The IUPAC name of 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol (CID 167028485) is 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol.
What is the SMILES notation for 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol?
The canonical SMILES for 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol is CC(C)(O)c1c[nH]c2ncc(Br)cc12.
What is the InChIKey of 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol?
The InChIKey is UWOILTRBBNDPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-10(2,14)8-5-13-9-7(8)3-6(11)4-12-9/h3-5,14H,1-2H3,(H,12,13).
What are the key properties of 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol?
2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol has a molecular weight of 255.11 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol is sourced from PubChem (CID 167028485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).