(4-bromo-7-nitroisoquinolin-3-yl)methanol

C10H7BrN2O3 — CID 152705347

IUPAC(4-bromo-7-nitroisoquinolin-3-yl)methanol
SMILESO=[N+]([O-])c1ccc2c(Br)c(CO)ncc2c1
InChIInChI=1S/C10H7BrN2O3/c11-10-8-2-1-7(13(15)16)3-6(8)4-12-9(10)5-14/h1-4,14H,5H2
InChIKeyZSLIXLOVEWWPQZ-UHFFFAOYSA-N
MW283.08 g/mol
LogP2.40
Rot. Bonds2

About (4-bromo-7-nitroisoquinolin-3-yl)methanol

(4-bromo-7-nitroisoquinolin-3-yl)methanol (PubChem CID 152705347) has the molecular formula C10H7BrN2O3 and a molecular weight of 283.08 g/mol. Its IUPAC name is (4-bromo-7-nitroisoquinolin-3-yl)methanol.

Molecular Properties

Compound Name(4-bromo-7-nitroisoquinolin-3-yl)methanol
PubChem CID152705347
Molecular FormulaC10H7BrN2O3
Molecular Weight283.08 g/mol
Exact Mass281.96
IUPAC Name(4-bromo-7-nitroisoquinolin-3-yl)methanol
SMILESO=[N+]([O-])c1ccc2c(Br)c(CO)ncc2c1
InChIInChI=1S/C10H7BrN2O3/c11-10-8-2-1-7(13(15)16)3-6(8)4-12-9(10)5-14/h1-4,14H,5H2
InChIKeyZSLIXLOVEWWPQZ-UHFFFAOYSA-N
XLogP2.40
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 52.40
H-Bond Donors ≤ 51
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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Related Compounds

3-amino-7-nitroisoquinoline-4-carboxamide
CID 5306867
3,4-diethyl-6-nitroisoquinoline
CID 71723952
[3-[(2-bromo-4-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79158522
4-bromo-6-nitroisoquinoline
CID 84750887
(3-bromo-6-nitro-2-pyridinyl)methanol
CID 130772164
3-methyl-7-nitro-1,4-benzodiazepin-2-one
CID 54061398
2-nitrophenanthridine
CID 15065495
6-nitro-1-(6-nitronaphthalen-1-yl)naphthalene
CID 174928469
2-fluoro-7-nitronaphthalen-1-ol
CID 169489335
2-[(6-nitroisoquinolin-1-yl)amino]acetic acid
CID 82571164
2-butyl-6-nitroquinazoline
CID 101015505
[3-(hydroxymethyl)-5-nitrophenyl]methanol
CID 603032

Frequently Asked Questions

What is the IUPAC name of (4-bromo-7-nitroisoquinolin-3-yl)methanol?
The IUPAC name of (4-bromo-7-nitroisoquinolin-3-yl)methanol (CID 152705347) is (4-bromo-7-nitroisoquinolin-3-yl)methanol.
What is the SMILES notation for (4-bromo-7-nitroisoquinolin-3-yl)methanol?
The canonical SMILES for (4-bromo-7-nitroisoquinolin-3-yl)methanol is O=[N+]([O-])c1ccc2c(Br)c(CO)ncc2c1.
What is the InChIKey of (4-bromo-7-nitroisoquinolin-3-yl)methanol?
The InChIKey is ZSLIXLOVEWWPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O3/c11-10-8-2-1-7(13(15)16)3-6(8)4-12-9(10)5-14/h1-4,14H,5H2.
What are the key properties of (4-bromo-7-nitroisoquinolin-3-yl)methanol?
(4-bromo-7-nitroisoquinolin-3-yl)methanol has a molecular weight of 283.08 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-7-nitroisoquinolin-3-yl)methanol is sourced from PubChem (CID 152705347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).