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

C13H11N5O2 — CID 79791262

IUPAC2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4-nitroaniline
SMILESCc1cnc2nc(-c3cc([N+](=O)[O-])ccc3N)[nH]c2c1
InChIInChI=1S/C13H11N5O2/c1-7-4-11-13(15-6-7)17-12(16-11)9-5-8(18(19)20)2-3-10(9)14/h2-6H,14H2,1H3,(H,15,16,17)
InChIKeyBAKIAEJDTAWDNY-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.42
Rot. Bonds2

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

2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4-nitroaniline (PubChem CID 79791262) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4-nitroaniline.

Molecular Properties

Compound Name2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4-nitroaniline
PubChem CID79791262
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4-nitroaniline
SMILESCc1cnc2nc(-c3cc([N+](=O)[O-])ccc3N)[nH]c2c1
InChIInChI=1S/C13H11N5O2/c1-7-4-11-13(15-6-7)17-12(16-11)9-5-8(18(19)20)2-3-10(9)14/h2-6H,14H2,1H3,(H,15,16,17)
InChIKeyBAKIAEJDTAWDNY-UHFFFAOYSA-N
XLogP2.42
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4-nitroaniline?
The IUPAC name of 2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4-nitroaniline (CID 79791262) is 2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4-nitroaniline.
What is the SMILES notation for 2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4-nitroaniline?
The canonical SMILES for 2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4-nitroaniline is Cc1cnc2nc(-c3cc([N+](=O)[O-])ccc3N)[nH]c2c1.
What is the InChIKey of 2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4-nitroaniline?
The InChIKey is BAKIAEJDTAWDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-7-4-11-13(15-6-7)17-12(16-11)9-5-8(18(19)20)2-3-10(9)14/h2-6H,14H2,1H3,(H,15,16,17).
What are the key properties of 2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4-nitroaniline?
2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4-nitroaniline has a molecular weight of 269.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4-nitroaniline is sourced from PubChem (CID 79791262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).