5-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine

C21H16BrClN6O — CID 157150244

IUPAC5-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccnc2[nH]ccc12.On1cc(Br)cc2ccnc1-2.c1cnc2[nH]ccc2c1
InChIInChI=1S/C7H5BrN2O.C7H5ClN2.C7H6N2/c8-6-3-5-1-2-9-7(5)10(11)4-6;8-6-2-4-10-7-5(6)1-3-9-7;1-2-6-3-5-9-7(6)8-4-1/h1-4,11H;1-4H,(H,9,10);1-5H,(H,8,9)
InChIKeyCYIOVORBTJZUCP-UHFFFAOYSA-N
MW483.76 g/mol
LogP5.77
Rot. Bonds

About 5-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine

5-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine (PubChem CID 157150244) has the molecular formula C21H16BrClN6O and a molecular weight of 483.76 g/mol. Its IUPAC name is 5-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine
PubChem CID157150244
Molecular FormulaC21H16BrClN6O
Molecular Weight483.76 g/mol
Exact Mass482.03
IUPAC Name5-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccnc2[nH]ccc12.On1cc(Br)cc2ccnc1-2.c1cnc2[nH]ccc2c1
InChIInChI=1S/C7H5BrN2O.C7H5ClN2.C7H6N2/c8-6-3-5-1-2-9-7(5)10(11)4-6;8-6-2-4-10-7-5(6)1-3-9-7;1-2-6-3-5-9-7(6)8-4-1/h1-4,11H;1-4H,(H,9,10);1-5H,(H,8,9)
InChIKeyCYIOVORBTJZUCP-UHFFFAOYSA-N
XLogP5.77
TPSA95.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.76
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
CID 49830275
N-[(6-chloro-3-pyridinyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 52934260
5-Bromo-4-chloro-1H-pyrrolo(2,3-b)pyridine
CID 45789788
3-Bromo-4-chloro-1H-pyrrolo(2,3-b)pyridine
CID 24729570
4-Bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine
CID 24729595
4-Bromo-5-chloro-1H-pyrrolo(2,3-b)pyridine
CID 46835522
3-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine
CID 53412582
5-Bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine
CID 53412942
4-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56866339
4-chloro-6-(4-pyrrolidin-1-ylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridine
CID 56895089
N-[(2-chloro-4-pyridinyl)methyl]-6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 52932832
N-[(3-bromo-4-pyridinyl)methyl]-6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 67201828

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine (CID 157150244) is 5-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine is Clc1ccnc2[nH]ccc12.On1cc(Br)cc2ccnc1-2.c1cnc2[nH]ccc2c1.
What is the InChIKey of 5-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?
The InChIKey is CYIOVORBTJZUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O.C7H5ClN2.C7H6N2/c8-6-3-5-1-2-9-7(5)10(11)4-6;8-6-2-4-10-7-5(6)1-3-9-7;1-2-6-3-5-9-7(6)8-4-1/h1-4,11H;1-4H,(H,9,10);1-5H,(H,8,9).
What are the key properties of 5-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?
5-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 483.76 g/mol, XLogP of 5.77, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157150244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).