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

C13H16BrN3O — CID 106884964

IUPAC(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-piperidin-3-ylmethanol
SMILESOC(c1c[nH]c2ncc(Br)cc12)C1CCCNC1
InChIInChI=1S/C13H16BrN3O/c14-9-4-10-11(7-17-13(10)16-6-9)12(18)8-2-1-3-15-5-8/h4,6-8,12,15,18H,1-3,5H2,(H,16,17)
InChIKeyVLNWUDUXYGGBHI-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.36
Rot. Bonds2

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

(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-piperidin-3-ylmethanol (PubChem CID 106884964) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-piperidin-3-ylmethanol.

Molecular Properties

Compound Name(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-piperidin-3-ylmethanol
PubChem CID106884964
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-piperidin-3-ylmethanol
SMILESOC(c1c[nH]c2ncc(Br)cc12)C1CCCNC1
InChIInChI=1S/C13H16BrN3O/c14-9-4-10-11(7-17-13(10)16-6-9)12(18)8-2-1-3-15-5-8/h4,6-8,12,15,18H,1-3,5H2,(H,16,17)
InChIKeyVLNWUDUXYGGBHI-UHFFFAOYSA-N
XLogP2.36
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-1H-indol-3-yl)-piperidin-3-ylmethanol
CID 43152058
piperidin-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanol
CID 102626838
1,5-dibromo-2,4-bis(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-3-one
CID 151661329
(5-nitro-1H-indol-3-yl)-piperidin-3-ylmethanol
CID 43329878
5-bromo-3-butan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 139023960
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-cyclooctylmethanone
CID 106884881
2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol
CID 167028485
(4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol
CID 80560290
(5-bromo-2-methylphenyl)-pyrrolidin-3-ylmethanol
CID 83693932
(4-methoxy-1H-indol-3-yl)-piperidin-3-ylmethanol
CID 83162965
(R)-phenyl-[(3S)-piperidin-3-yl]methanol
CID 39238461
(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-piperidin-3-ylmethanol
CID 43330491

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-piperidin-3-ylmethanol?
The IUPAC name of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-piperidin-3-ylmethanol (CID 106884964) is (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-piperidin-3-ylmethanol.
What is the SMILES notation for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-piperidin-3-ylmethanol?
The canonical SMILES for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-piperidin-3-ylmethanol is OC(c1c[nH]c2ncc(Br)cc12)C1CCCNC1.
What is the InChIKey of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-piperidin-3-ylmethanol?
The InChIKey is VLNWUDUXYGGBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c14-9-4-10-11(7-17-13(10)16-6-9)12(18)8-2-1-3-15-5-8/h4,6-8,12,15,18H,1-3,5H2,(H,16,17).
What are the key properties of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-piperidin-3-ylmethanol?
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-piperidin-3-ylmethanol has a molecular weight of 310.19 g/mol, XLogP of 2.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-piperidin-3-ylmethanol is sourced from PubChem (CID 106884964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).