[2-(bromomethyl)-6-nitrophenyl]methanol

C8H8BrNO3 — CID 133061425

IUPAC[2-(bromomethyl)-6-nitrophenyl]methanol
SMILESO=[N+]([O-])c1cccc(CBr)c1CO
InChIInChI=1S/C8H8BrNO3/c9-4-6-2-1-3-8(10(12)13)7(6)5-11/h1-3,11H,4-5H2
InChIKeyZOYLZFRLROLVRD-UHFFFAOYSA-N
MW246.06 g/mol
LogP1.98
Rot. Bonds3

About [2-(bromomethyl)-6-nitrophenyl]methanol

[2-(bromomethyl)-6-nitrophenyl]methanol (PubChem CID 133061425) has the molecular formula C8H8BrNO3 and a molecular weight of 246.06 g/mol. Its IUPAC name is [2-(bromomethyl)-6-nitrophenyl]methanol.

Molecular Properties

Compound Name[2-(bromomethyl)-6-nitrophenyl]methanol
PubChem CID133061425
Molecular FormulaC8H8BrNO3
Molecular Weight246.06 g/mol
Exact Mass244.97
IUPAC Name[2-(bromomethyl)-6-nitrophenyl]methanol
SMILESO=[N+]([O-])c1cccc(CBr)c1CO
InChIInChI=1S/C8H8BrNO3/c9-4-6-2-1-3-8(10(12)13)7(6)5-11/h1-3,11H,4-5H2
InChIKeyZOYLZFRLROLVRD-UHFFFAOYSA-N
XLogP1.98
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-1,3-dinitrobenzene
CID 10848958
2-(bromomethyl)-1-ethyl-3-nitrobenzene
CID 129096805
1-(bromomethyl)-2-fluoro-3-nitrobenzene
CID 59139151
2-(bromomethyl)-1-[2-(bromomethyl)-3-nitrophenyl]-3-nitrobenzene
CID 19771317
(2-nitrophenyl)methanol
CID 11923
[2-(bromomethyl)-6-nitrophenyl]hydrazine
CID 118855249
2-(bromomethyl)-1-nitro-3-phenylbenzene
CID 14317416
methanol;(2-nitrophenyl)methanol
CID 70046885
2-(bromomethyl)-1-(ethoxymethyl)-3-nitrobenzene
CID 118918126
1-(bromomethyl)-2-nitrobenzene;2-[(2-nitrophenyl)methylamino]ethanol
CID 158478139
1-(2-bromoethyl)-2-nitrobenzene;2-(2-nitrophenyl)ethanol
CID 160970428
[4-(bromomethyl)-3-nitrophenyl]methanol
CID 139934895

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-6-nitrophenyl]methanol?
The IUPAC name of [2-(bromomethyl)-6-nitrophenyl]methanol (CID 133061425) is [2-(bromomethyl)-6-nitrophenyl]methanol.
What is the SMILES notation for [2-(bromomethyl)-6-nitrophenyl]methanol?
The canonical SMILES for [2-(bromomethyl)-6-nitrophenyl]methanol is O=[N+]([O-])c1cccc(CBr)c1CO.
What is the InChIKey of [2-(bromomethyl)-6-nitrophenyl]methanol?
The InChIKey is ZOYLZFRLROLVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO3/c9-4-6-2-1-3-8(10(12)13)7(6)5-11/h1-3,11H,4-5H2.
What are the key properties of [2-(bromomethyl)-6-nitrophenyl]methanol?
[2-(bromomethyl)-6-nitrophenyl]methanol has a molecular weight of 246.06 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-6-nitrophenyl]methanol is sourced from PubChem (CID 133061425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).