[1-[(2-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol

C15H13BrN2O — CID 66413921

IUPAC[1-[(2-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESOCc1cn(Cc2ccccc2Br)c2ncccc12
InChIInChI=1S/C15H13BrN2O/c16-14-6-2-1-4-11(14)8-18-9-12(10-19)13-5-3-7-17-15(13)18/h1-7,9,19H,8,10H2
InChIKeyYOOKDBPTNKIKAG-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.34
Rot. Bonds3

About [1-[(2-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol

[1-[(2-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 66413921) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is [1-[(2-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID66413921
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name[1-[(2-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESOCc1cn(Cc2ccccc2Br)c2ncccc12
InChIInChI=1S/C15H13BrN2O/c16-14-6-2-1-4-11(14)8-18-9-12(10-19)13-5-3-7-17-15(13)18/h1-7,9,19H,8,10H2
InChIKeyYOOKDBPTNKIKAG-UHFFFAOYSA-N
XLogP3.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of [1-[(2-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol (CID 66413921) is [1-[(2-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for [1-[(2-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for [1-[(2-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol is OCc1cn(Cc2ccccc2Br)c2ncccc12.
What is the InChIKey of [1-[(2-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is YOOKDBPTNKIKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c16-14-6-2-1-4-11(14)8-18-9-12(10-19)13-5-3-7-17-15(13)18/h1-7,9,19H,8,10H2.
What are the key properties of [1-[(2-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
[1-[(2-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 317.19 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-bromophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 66413921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).