[6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;6-bromo-1H-isoindole;(6-bromo-2-pyridinyl)methanol

C27H22Br3N5O2 — CID 157302656

IUPAC[6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;6-bromo-1H-isoindole;(6-bromo-2-pyridinyl)methanol
SMILESBrc1ccc2c(c1)CN=C2.OCc1cccc(-n2ncc3ccc(Br)cc32)n1.OCc1cccc(Br)n1
InChIInChI=1S/C13H10BrN3O.C8H6BrN.C6H6BrNO/c14-10-5-4-9-7-15-17(12(9)6-10)13-3-1-2-11(8-18)16-13;9-8-2-1-6-4-10-5-7(6)3-8;7-6-3-1-2-5(4-9)8-6/h1-7,18H,8H2;1-4H,5H2;1-3,9H,4H2
InChIKeyBCBWGMJBSPBUFA-UHFFFAOYSA-N
MW688.22 g/mol
LogP6.39
Rot. Bonds3

About [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;6-bromo-1H-isoindole;(6-bromo-2-pyridinyl)methanol

[6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;6-bromo-1H-isoindole;(6-bromo-2-pyridinyl)methanol (PubChem CID 157302656) has the molecular formula C27H22Br3N5O2 and a molecular weight of 688.22 g/mol. Its IUPAC name is [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;6-bromo-1H-isoindole;(6-bromo-2-pyridinyl)methanol.

Molecular Properties

Compound Name[6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;6-bromo-1H-isoindole;(6-bromo-2-pyridinyl)methanol
PubChem CID157302656
Molecular FormulaC27H22Br3N5O2
Molecular Weight688.22 g/mol
Exact Mass684.93
IUPAC Name[6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;6-bromo-1H-isoindole;(6-bromo-2-pyridinyl)methanol
SMILESBrc1ccc2c(c1)CN=C2.OCc1cccc(-n2ncc3ccc(Br)cc32)n1.OCc1cccc(Br)n1
InChIInChI=1S/C13H10BrN3O.C8H6BrN.C6H6BrNO/c14-10-5-4-9-7-15-17(12(9)6-10)13-3-1-2-11(8-18)16-13;9-8-2-1-6-4-10-5-7(6)3-8;7-6-3-1-2-5(4-9)8-6/h1-7,18H,8H2;1-4H,5H2;1-3,9H,4H2
InChIKeyBCBWGMJBSPBUFA-UHFFFAOYSA-N
XLogP6.39
TPSA96.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.22
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;6-bromo-1H-isoindole;(6-bromo-2-pyridinyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(6-Bromo-4-fluoro-1H-indazol-1-yl)-2-pyridinemethanol
CID 118663841
(6-Bromo-4-fluoroindazol-1-yl)-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol
CID 118663626
[6-Bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-fluoroindazol-3-yl]-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol
CID 173699700
[1-(2-aminopyrimidin-4-yl)-6-bromo-1H-indazol-3-yl]methanol
CID 68181849
(6-Indazol-1-yl-2-pyridinyl)-(6-methyl-2-pyridinyl)methanol
CID 71005718
2-(6-Bromo-1h-indazol-1-yl)-4-pyrimidinemethanol
CID 118664624
[6-(4-Bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol
CID 130231789
[6-(6-Bromoindazol-1-yl)-2-pyridinyl]methanol
CID 130247343
6-Bromo-1-(6-(((tert-butyldimethylsilyl)oxy)methyl)pyridin-2-yl)-1H-indazole
CID 140798369
6-Bromo-2-(6-(((tert-butyldimethylsilyl)oxy)methyl)pyridin-2-yl)-2H-indazole
CID 140798469
[6-[6-[6-[(2S)-pentan-2-yl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
CID 145002293
[6-[6-(6-Butyl-2-pyridinyl)-4-(1,5-dimethylpyrazol-3-yl)indazol-1-yl]-2-pyridinyl]methanol
CID 145002491

Frequently Asked Questions

What is the IUPAC name of [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;6-bromo-1H-isoindole;(6-bromo-2-pyridinyl)methanol?
The IUPAC name of [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;6-bromo-1H-isoindole;(6-bromo-2-pyridinyl)methanol (CID 157302656) is [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;6-bromo-1H-isoindole;(6-bromo-2-pyridinyl)methanol.
What is the SMILES notation for [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;6-bromo-1H-isoindole;(6-bromo-2-pyridinyl)methanol?
The canonical SMILES for [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;6-bromo-1H-isoindole;(6-bromo-2-pyridinyl)methanol is Brc1ccc2c(c1)CN=C2.OCc1cccc(-n2ncc3ccc(Br)cc32)n1.OCc1cccc(Br)n1.
What is the InChIKey of [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;6-bromo-1H-isoindole;(6-bromo-2-pyridinyl)methanol?
The InChIKey is BCBWGMJBSPBUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O.C8H6BrN.C6H6BrNO/c14-10-5-4-9-7-15-17(12(9)6-10)13-3-1-2-11(8-18)16-13;9-8-2-1-6-4-10-5-7(6)3-8;7-6-3-1-2-5(4-9)8-6/h1-7,18H,8H2;1-4H,5H2;1-3,9H,4H2.
What are the key properties of [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;6-bromo-1H-isoindole;(6-bromo-2-pyridinyl)methanol?
[6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;6-bromo-1H-isoindole;(6-bromo-2-pyridinyl)methanol has a molecular weight of 688.22 g/mol, XLogP of 6.39, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6-bromoindazol-1-yl)-2-pyridinyl]methanol;6-bromo-1H-isoindole;(6-bromo-2-pyridinyl)methanol is sourced from PubChem (CID 157302656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).