[1-(2-bromoprop-2-enyl)pyrrolo[2,3-b]pyridin-3-yl]methanol

C11H11BrN2O — CID 66414288

IUPAC[1-(2-bromoprop-2-enyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESC=C(Br)Cn1cc(CO)c2cccnc21
InChIInChI=1S/C11H11BrN2O/c1-8(12)5-14-6-9(7-15)10-3-2-4-13-11(10)14/h2-4,6,15H,1,5,7H2
InChIKeyZSTVKIPMLUXDIM-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.44
Rot. Bonds3

About [1-(2-bromoprop-2-enyl)pyrrolo[2,3-b]pyridin-3-yl]methanol

[1-(2-bromoprop-2-enyl)pyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 66414288) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is [1-(2-bromoprop-2-enyl)pyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-bromoprop-2-enyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID66414288
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name[1-(2-bromoprop-2-enyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESC=C(Br)Cn1cc(CO)c2cccnc21
InChIInChI=1S/C11H11BrN2O/c1-8(12)5-14-6-9(7-15)10-3-2-4-13-11(10)14/h2-4,6,15H,1,5,7H2
InChIKeyZSTVKIPMLUXDIM-UHFFFAOYSA-N
XLogP2.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-bromoprop-2-enyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of [1-(2-bromoprop-2-enyl)pyrrolo[2,3-b]pyridin-3-yl]methanol (CID 66414288) is [1-(2-bromoprop-2-enyl)pyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for [1-(2-bromoprop-2-enyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for [1-(2-bromoprop-2-enyl)pyrrolo[2,3-b]pyridin-3-yl]methanol is C=C(Br)Cn1cc(CO)c2cccnc21.
What is the InChIKey of [1-(2-bromoprop-2-enyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is ZSTVKIPMLUXDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-8(12)5-14-6-9(7-15)10-3-2-4-13-11(10)14/h2-4,6,15H,1,5,7H2.
What are the key properties of [1-(2-bromoprop-2-enyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
[1-(2-bromoprop-2-enyl)pyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 267.13 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromoprop-2-enyl)pyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 66414288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).