(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol

C8H7BrN2O — CID 130048372

IUPAC(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
SMILESOCc1c[nH]c2nccc(Br)c12
InChIInChI=1S/C8H7BrN2O/c9-6-1-2-10-8-7(6)5(4-12)3-11-8/h1-3,12H,4H2,(H,10,11)
InChIKeyQYEJBRZCIRZAAF-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.82
Rot. Bonds1

About (4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol

(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol (PubChem CID 130048372) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is (4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol.

Molecular Properties

Compound Name(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
PubChem CID130048372
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
SMILESOCc1c[nH]c2nccc(Br)c12
InChIInChI=1S/C8H7BrN2O/c9-6-1-2-10-8-7(6)5(4-12)3-11-8/h1-3,12H,4H2,(H,10,11)
InChIKeyQYEJBRZCIRZAAF-UHFFFAOYSA-N
XLogP1.82
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(6-bromo-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 87697100
(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanol
CID 130121009
4-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 59506850
(4-bromo-3-pyridinyl)methanol;hydrochloride
CID 71669148
3-(aminomethyl)-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 84662739
4-bromo-9H-pyrido[2,3-b]indole
CID 90389488
(3-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)hydrazine
CID 165474233
(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 84655944
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
(4-bromo-2-pyridinyl)methanol
CID 14761462
[4-[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66813630
3-bromo-4,5-dichloro-1H-pyrrolo[2,3-b]pyridine
CID 122173361

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The IUPAC name of (4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol (CID 130048372) is (4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol.
What is the SMILES notation for (4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The canonical SMILES for (4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol is OCc1c[nH]c2nccc(Br)c12.
What is the InChIKey of (4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The InChIKey is QYEJBRZCIRZAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c9-6-1-2-10-8-7(6)5(4-12)3-11-8/h1-3,12H,4H2,(H,10,11).
What are the key properties of (4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol has a molecular weight of 227.06 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol is sourced from PubChem (CID 130048372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).