5-methyl-2-[6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridin-2-yl]phenol

C19H14N4O4 — CID 137300629

IUPAC5-methyl-2-[6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridin-2-yl]phenol
SMILESCc1ccc(-c2nc3ncc(Oc4ccc([N+](=O)[O-])cc4)cc3[nH]2)c(O)c1
InChIInChI=1S/C19H14N4O4/c1-11-2-7-15(17(24)8-11)18-21-16-9-14(10-20-19(16)22-18)27-13-5-3-12(4-6-13)23(25)26/h2-10,24H,1H3,(H,20,21,22)
InChIKeyXYMWUSIITOMOHX-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.34
Rot. Bonds4

About 5-methyl-2-[6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridin-2-yl]phenol

5-methyl-2-[6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridin-2-yl]phenol (PubChem CID 137300629) has the molecular formula C19H14N4O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is 5-methyl-2-[6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridin-2-yl]phenol.

Molecular Properties

Compound Name5-methyl-2-[6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridin-2-yl]phenol
PubChem CID137300629
Molecular FormulaC19H14N4O4
Molecular Weight362.35 g/mol
Exact Mass362.10
IUPAC Name5-methyl-2-[6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridin-2-yl]phenol
SMILESCc1ccc(-c2nc3ncc(Oc4ccc([N+](=O)[O-])cc4)cc3[nH]2)c(O)c1
InChIInChI=1S/C19H14N4O4/c1-11-2-7-15(17(24)8-11)18-21-16-9-14(10-20-19(16)22-18)27-13-5-3-12(4-6-13)23(25)26/h2-10,24H,1H3,(H,20,21,22)
InChIKeyXYMWUSIITOMOHX-UHFFFAOYSA-N
XLogP4.34
TPSA114.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridin-2-yl]phenol?
The IUPAC name of 5-methyl-2-[6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridin-2-yl]phenol (CID 137300629) is 5-methyl-2-[6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridin-2-yl]phenol.
What is the SMILES notation for 5-methyl-2-[6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridin-2-yl]phenol?
The canonical SMILES for 5-methyl-2-[6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridin-2-yl]phenol is Cc1ccc(-c2nc3ncc(Oc4ccc([N+](=O)[O-])cc4)cc3[nH]2)c(O)c1.
What is the InChIKey of 5-methyl-2-[6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridin-2-yl]phenol?
The InChIKey is XYMWUSIITOMOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O4/c1-11-2-7-15(17(24)8-11)18-21-16-9-14(10-20-19(16)22-18)27-13-5-3-12(4-6-13)23(25)26/h2-10,24H,1H3,(H,20,21,22).
What are the key properties of 5-methyl-2-[6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridin-2-yl]phenol?
5-methyl-2-[6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridin-2-yl]phenol has a molecular weight of 362.35 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridin-2-yl]phenol is sourced from PubChem (CID 137300629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).