(3-iodo-2H-indazol-6-yl)-morpholin-4-ylmethanol

C12H14IN3O2 — CID 163632226

IUPAC(3-iodo-2H-indazol-6-yl)-morpholin-4-ylmethanol
SMILESOC(c1ccc2c(I)[nH]nc2c1)N1CCOCC1
InChIInChI=1S/C12H14IN3O2/c13-11-9-2-1-8(7-10(9)14-15-11)12(17)16-3-5-18-6-4-16/h1-2,7,12,17H,3-6H2,(H,14,15)
InChIKeyHXDCUQVIJIMJJN-UHFFFAOYSA-N
MW359.17 g/mol
LogP1.49
Rot. Bonds2

About (3-iodo-2H-indazol-6-yl)-morpholin-4-ylmethanol

(3-iodo-2H-indazol-6-yl)-morpholin-4-ylmethanol (PubChem CID 163632226) has the molecular formula C12H14IN3O2 and a molecular weight of 359.17 g/mol. Its IUPAC name is (3-iodo-2H-indazol-6-yl)-morpholin-4-ylmethanol.

Molecular Properties

Compound Name(3-iodo-2H-indazol-6-yl)-morpholin-4-ylmethanol
PubChem CID163632226
Molecular FormulaC12H14IN3O2
Molecular Weight359.17 g/mol
Exact Mass359.01
IUPAC Name(3-iodo-2H-indazol-6-yl)-morpholin-4-ylmethanol
SMILESOC(c1ccc2c(I)[nH]nc2c1)N1CCOCC1
InChIInChI=1S/C12H14IN3O2/c13-11-9-2-1-8(7-10(9)14-15-11)12(17)16-3-5-18-6-4-16/h1-2,7,12,17H,3-6H2,(H,14,15)
InChIKeyHXDCUQVIJIMJJN-UHFFFAOYSA-N
XLogP1.49
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1H-Indazol-6-yl)methanol
CID 44119261
[6-(aminomethyl)-1H-indazol-3-yl]methanol
CID 170918818
[3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]methanol
CID 59763286
(5-iodo-1H-indazol-6-yl)methanol
CID 67069536
[3-amino-4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]methanol
CID 68998030
[3-amino-4-[2-(1H-indazol-3-yl)ethenyl]phenyl]methanol
CID 68998031
[3-(hydroxymethyl)-2H-indazol-6-yl]methanol
CID 89075492
[1-(2-Methylpropyl)-3-(morpholin-4-ylmethyl)indazol-6-yl]methanol
CID 90133666
2-(3-methyl-2H-indazol-6-yl)morpholine
CID 123183606
2-(1H-indazol-6-yl)-4-methylmorpholine
CID 126485883
(2R)-2'-(3-iodo-2H-indazol-6-yl)-1-(2-methoxyethyl)spiro[2H-indole-3,1'-cyclopropane]-2-ol
CID 132054698
[4-[6-(aminomethyl)-1H-indazol-3-yl]phenyl]methanol
CID 142719136

Frequently Asked Questions

What is the IUPAC name of (3-iodo-2H-indazol-6-yl)-morpholin-4-ylmethanol?
The IUPAC name of (3-iodo-2H-indazol-6-yl)-morpholin-4-ylmethanol (CID 163632226) is (3-iodo-2H-indazol-6-yl)-morpholin-4-ylmethanol.
What is the SMILES notation for (3-iodo-2H-indazol-6-yl)-morpholin-4-ylmethanol?
The canonical SMILES for (3-iodo-2H-indazol-6-yl)-morpholin-4-ylmethanol is OC(c1ccc2c(I)[nH]nc2c1)N1CCOCC1.
What is the InChIKey of (3-iodo-2H-indazol-6-yl)-morpholin-4-ylmethanol?
The InChIKey is HXDCUQVIJIMJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN3O2/c13-11-9-2-1-8(7-10(9)14-15-11)12(17)16-3-5-18-6-4-16/h1-2,7,12,17H,3-6H2,(H,14,15).
What are the key properties of (3-iodo-2H-indazol-6-yl)-morpholin-4-ylmethanol?
(3-iodo-2H-indazol-6-yl)-morpholin-4-ylmethanol has a molecular weight of 359.17 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodo-2H-indazol-6-yl)-morpholin-4-ylmethanol is sourced from PubChem (CID 163632226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).