5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-nitrophenol

C13H9ClN4O3 — CID 69209612

IUPAC5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-nitrophenol
SMILESCc1c(Cl)cnc2nc(-c3ccc([N+](=O)[O-])c(O)c3)[nH]c12
InChIInChI=1S/C13H9ClN4O3/c1-6-8(14)5-15-13-11(6)16-12(17-13)7-2-3-9(18(20)21)10(19)4-7/h2-5,19H,1H3,(H,15,16,17)
InChIKeyRWYBUQRPDSEALC-UHFFFAOYSA-N
MW304.69 g/mol
LogP3.20
Rot. Bonds2

About 5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-nitrophenol

5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-nitrophenol (PubChem CID 69209612) has the molecular formula C13H9ClN4O3 and a molecular weight of 304.69 g/mol. Its IUPAC name is 5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-nitrophenol.

Molecular Properties

Compound Name5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-nitrophenol
PubChem CID69209612
Molecular FormulaC13H9ClN4O3
Molecular Weight304.69 g/mol
Exact Mass304.04
IUPAC Name5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-nitrophenol
SMILESCc1c(Cl)cnc2nc(-c3ccc([N+](=O)[O-])c(O)c3)[nH]c12
InChIInChI=1S/C13H9ClN4O3/c1-6-8(14)5-15-13-11(6)16-12(17-13)7-2-3-9(18(20)21)10(19)4-7/h2-5,19H,1H3,(H,15,16,17)
InChIKeyRWYBUQRPDSEALC-UHFFFAOYSA-N
XLogP3.20
TPSA104.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.69
LogP ≤ 53.20
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-nitrophenol?
The IUPAC name of 5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-nitrophenol (CID 69209612) is 5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-nitrophenol.
What is the SMILES notation for 5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-nitrophenol?
The canonical SMILES for 5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-nitrophenol is Cc1c(Cl)cnc2nc(-c3ccc([N+](=O)[O-])c(O)c3)[nH]c12.
What is the InChIKey of 5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-nitrophenol?
The InChIKey is RWYBUQRPDSEALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O3/c1-6-8(14)5-15-13-11(6)16-12(17-13)7-2-3-9(18(20)21)10(19)4-7/h2-5,19H,1H3,(H,15,16,17).
What are the key properties of 5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-nitrophenol?
5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-nitrophenol has a molecular weight of 304.69 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-nitrophenol is sourced from PubChem (CID 69209612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).