[(3R)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol

C10H12N2O3 — CID 10822243

IUPAC[(3R)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
SMILESO=[N+]([O-])c1ccc2c(c1)CN[C@@H](CO)C2
InChIInChI=1S/C10H12N2O3/c13-6-9-3-7-1-2-10(12(14)15)4-8(7)5-11-9/h1-2,4,9,11,13H,3,5-6H2/t9-/m1/s1
InChIKeyRNUCRXHRBPLYTA-SECBINFHSA-N
MW208.22 g/mol
LogP0.60
Rot. Bonds2

About [(3R)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol

[(3R)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol (PubChem CID 10822243) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is [(3R)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
PubChem CID10822243
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name[(3R)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
SMILESO=[N+]([O-])c1ccc2c(c1)CN[C@@H](CO)C2
InChIInChI=1S/C10H12N2O3/c13-6-9-3-7-1-2-10(12(14)15)4-8(7)5-11-9/h1-2,4,9,11,13H,3,5-6H2/t9-/m1/s1
InChIKeyRNUCRXHRBPLYTA-SECBINFHSA-N
XLogP0.60
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
The IUPAC name of [(3R)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol (CID 10822243) is [(3R)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol.
What is the SMILES notation for [(3R)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
The canonical SMILES for [(3R)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol is O=[N+]([O-])c1ccc2c(c1)CN[C@@H](CO)C2.
What is the InChIKey of [(3R)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
The InChIKey is RNUCRXHRBPLYTA-SECBINFHSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-6-9-3-7-1-2-10(12(14)15)4-8(7)5-11-9/h1-2,4,9,11,13H,3,5-6H2/t9-/m1/s1.
What are the key properties of [(3R)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
[(3R)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol has a molecular weight of 208.22 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol is sourced from PubChem (CID 10822243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).