(4-diazenyl-3-nitrophenyl)methanol

C7H7N3O3 — CID 70666702

IUPAC(4-diazenyl-3-nitrophenyl)methanol
SMILES[H]/N=N/c1ccc(CO)cc1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O3/c8-9-6-2-1-5(4-11)3-7(6)10(12)13/h1-3,8,11H,4H2/b9-8+
InChIKeyJOCHSJDIUZRCJR-CMDGGOBGSA-N
MW181.15 g/mol
LogP1.75
Rot. Bonds3

About (4-diazenyl-3-nitrophenyl)methanol

(4-diazenyl-3-nitrophenyl)methanol (PubChem CID 70666702) has the molecular formula C7H7N3O3 and a molecular weight of 181.15 g/mol. Its IUPAC name is (4-diazenyl-3-nitrophenyl)methanol.

Molecular Properties

Compound Name(4-diazenyl-3-nitrophenyl)methanol
PubChem CID70666702
Molecular FormulaC7H7N3O3
Molecular Weight181.15 g/mol
Exact Mass181.05
IUPAC Name(4-diazenyl-3-nitrophenyl)methanol
SMILES[H]/N=N/c1ccc(CO)cc1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O3/c8-9-6-2-1-5(4-11)3-7(6)10(12)13/h1-3,8,11H,4H2/b9-8+
InChIKeyJOCHSJDIUZRCJR-CMDGGOBGSA-N
XLogP1.75
TPSA99.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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

1-[4-(hydroxymethyl)-2-nitrophenyl]ethanone
CID 58723940
[4-(bromomethyl)-3-nitrophenyl]methanol
CID 139934895
2-[4-(hydroxymethyl)-N-methyl-2-nitroanilino]-2-methylpropan-1-ol
CID 113475850
(3-nitro-4-propan-2-yloxyphenyl)methanol
CID 28963964
4-(bromomethyl)-1-methyl-2-nitrobenzene;(4-methyl-3-nitrophenyl)methanol;tribromophosphane
CID 161039553
[4-[3-(dimethylamino)phenoxy]-3-nitrophenyl]methanol
CID 61230213
4-(2-iminoethyl)-2-nitrophenol
CID 59095525
5-(hydroxymethyl)-3-nitrobenzene-1,2-diol
CID 18990374
[4-(dibutylamino)-3-nitrophenyl]methanol
CID 28983399
[4-[2-(hydroxymethyl)phenoxy]-3-nitrophenyl]methanol
CID 63653967
[3-[(4-bromophenyl)methoxy]-4-nitrophenyl]methanol
CID 62115919
[3-nitro-4-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanol
CID 116616347

Frequently Asked Questions

What is the IUPAC name of (4-diazenyl-3-nitrophenyl)methanol?
The IUPAC name of (4-diazenyl-3-nitrophenyl)methanol (CID 70666702) is (4-diazenyl-3-nitrophenyl)methanol.
What is the SMILES notation for (4-diazenyl-3-nitrophenyl)methanol?
The canonical SMILES for (4-diazenyl-3-nitrophenyl)methanol is [H]/N=N/c1ccc(CO)cc1[N+](=O)[O-].
What is the InChIKey of (4-diazenyl-3-nitrophenyl)methanol?
The InChIKey is JOCHSJDIUZRCJR-CMDGGOBGSA-N. The full InChI is InChI=1S/C7H7N3O3/c8-9-6-2-1-5(4-11)3-7(6)10(12)13/h1-3,8,11H,4H2/b9-8+.
What are the key properties of (4-diazenyl-3-nitrophenyl)methanol?
(4-diazenyl-3-nitrophenyl)methanol has a molecular weight of 181.15 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-diazenyl-3-nitrophenyl)methanol is sourced from PubChem (CID 70666702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).