[6-(2-bromo-6-nitrophenoxy)-3-pyridinyl]methanol

C12H9BrN2O4 — CID 81499821

IUPAC[6-(2-bromo-6-nitrophenoxy)-3-pyridinyl]methanol
SMILESO=[N+]([O-])c1cccc(Br)c1Oc1ccc(CO)cn1
InChIInChI=1S/C12H9BrN2O4/c13-9-2-1-3-10(15(17)18)12(9)19-11-5-4-8(7-16)6-14-11/h1-6,16H,7H2
InChIKeyONIAFXORAXEATJ-UHFFFAOYSA-N
MW325.12 g/mol
LogP3.04
Rot. Bonds4

About [6-(2-bromo-6-nitrophenoxy)-3-pyridinyl]methanol

[6-(2-bromo-6-nitrophenoxy)-3-pyridinyl]methanol (PubChem CID 81499821) has the molecular formula C12H9BrN2O4 and a molecular weight of 325.12 g/mol. Its IUPAC name is [6-(2-bromo-6-nitrophenoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(2-bromo-6-nitrophenoxy)-3-pyridinyl]methanol
PubChem CID81499821
Molecular FormulaC12H9BrN2O4
Molecular Weight325.12 g/mol
Exact Mass323.97
IUPAC Name[6-(2-bromo-6-nitrophenoxy)-3-pyridinyl]methanol
SMILESO=[N+]([O-])c1cccc(Br)c1Oc1ccc(CO)cn1
InChIInChI=1S/C12H9BrN2O4/c13-9-2-1-3-10(15(17)18)12(9)19-11-5-4-8(7-16)6-14-11/h1-6,16H,7H2
InChIKeyONIAFXORAXEATJ-UHFFFAOYSA-N
XLogP3.04
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.12
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [6-(2-bromo-6-nitrophenoxy)-3-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

2-(2-bromo-6-nitrophenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916966
5-(2-bromo-6-nitrophenoxy)pentan-1-ol
CID 81499592
1-bromo-2-[(2-bromophenyl)methoxy]-3-nitrobenzene
CID 81499450
[6-(3-bromophenoxy)-3-pyridinyl]methanol
CID 61255243
1-[5-(2-bromo-6-nitrophenoxy)-2-pyridinyl]propan-1-one
CID 115939129
[4-(2-bromo-6-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 81499626
[3-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methanol
CID 61391476
4-(2-bromo-6-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 81499351
3-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]pyridine
CID 115741675
[4-[(2-bromophenyl)methoxy]-3-nitrophenyl]methanol
CID 43137760
1-bromo-2-(2-chloroethoxy)-3-nitrobenzene
CID 81499939
1-bromo-2-[5-(chloromethyl)-2-methylphenoxy]-3-nitrobenzene
CID 105406109

Frequently Asked Questions

What is the IUPAC name of [6-(2-bromo-6-nitrophenoxy)-3-pyridinyl]methanol?
The IUPAC name of [6-(2-bromo-6-nitrophenoxy)-3-pyridinyl]methanol (CID 81499821) is [6-(2-bromo-6-nitrophenoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [6-(2-bromo-6-nitrophenoxy)-3-pyridinyl]methanol?
The canonical SMILES for [6-(2-bromo-6-nitrophenoxy)-3-pyridinyl]methanol is O=[N+]([O-])c1cccc(Br)c1Oc1ccc(CO)cn1.
What is the InChIKey of [6-(2-bromo-6-nitrophenoxy)-3-pyridinyl]methanol?
The InChIKey is ONIAFXORAXEATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O4/c13-9-2-1-3-10(15(17)18)12(9)19-11-5-4-8(7-16)6-14-11/h1-6,16H,7H2.
What are the key properties of [6-(2-bromo-6-nitrophenoxy)-3-pyridinyl]methanol?
[6-(2-bromo-6-nitrophenoxy)-3-pyridinyl]methanol has a molecular weight of 325.12 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-bromo-6-nitrophenoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 81499821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).