4-methyl-2-[(5-nitro-2-pyridinyl)diazenyl]phenol

C12H10N4O3 — CID 136744099

IUPAC4-methyl-2-[(5-nitro-2-pyridinyl)diazenyl]phenol
SMILESCc1ccc(O)c(/N=N/c2ccc([N+](=O)[O-])cn2)c1
InChIInChI=1S/C12H10N4O3/c1-8-2-4-11(17)10(6-8)14-15-12-5-3-9(7-13-12)16(18)19/h2-7,17H,1H3/b15-14+
InChIKeyNRNIQVOZEVMFHC-CCEZHUSRSA-N
MW258.24 g/mol
LogP3.42
Rot. Bonds3

About 4-methyl-2-[(5-nitro-2-pyridinyl)diazenyl]phenol

4-methyl-2-[(5-nitro-2-pyridinyl)diazenyl]phenol (PubChem CID 136744099) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 4-methyl-2-[(5-nitro-2-pyridinyl)diazenyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[(5-nitro-2-pyridinyl)diazenyl]phenol
PubChem CID136744099
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name4-methyl-2-[(5-nitro-2-pyridinyl)diazenyl]phenol
SMILESCc1ccc(O)c(/N=N/c2ccc([N+](=O)[O-])cn2)c1
InChIInChI=1S/C12H10N4O3/c1-8-2-4-11(17)10(6-8)14-15-12-5-3-9(7-13-12)16(18)19/h2-7,17H,1H3/b15-14+
InChIKeyNRNIQVOZEVMFHC-CCEZHUSRSA-N
XLogP3.42
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(5-nitro-2-pyridinyl)diazenyl]phenol?
The IUPAC name of 4-methyl-2-[(5-nitro-2-pyridinyl)diazenyl]phenol (CID 136744099) is 4-methyl-2-[(5-nitro-2-pyridinyl)diazenyl]phenol.
What is the SMILES notation for 4-methyl-2-[(5-nitro-2-pyridinyl)diazenyl]phenol?
The canonical SMILES for 4-methyl-2-[(5-nitro-2-pyridinyl)diazenyl]phenol is Cc1ccc(O)c(/N=N/c2ccc([N+](=O)[O-])cn2)c1.
What is the InChIKey of 4-methyl-2-[(5-nitro-2-pyridinyl)diazenyl]phenol?
The InChIKey is NRNIQVOZEVMFHC-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H10N4O3/c1-8-2-4-11(17)10(6-8)14-15-12-5-3-9(7-13-12)16(18)19/h2-7,17H,1H3/b15-14+.
What are the key properties of 4-methyl-2-[(5-nitro-2-pyridinyl)diazenyl]phenol?
4-methyl-2-[(5-nitro-2-pyridinyl)diazenyl]phenol has a molecular weight of 258.24 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(5-nitro-2-pyridinyl)diazenyl]phenol is sourced from PubChem (CID 136744099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).