N-(2-methylphenyl)-7-nitroindeno[1,2-b]pyridin-5-imine

C19H13N3O2 — CID 628864

IUPACN-(2-methylphenyl)-7-nitroindeno[1,2-b]pyridin-5-imine
SMILESCc1ccccc1/N=C1/c2cc([N+](=O)[O-])ccc2-c2ncccc21
InChIInChI=1S/C19H13N3O2/c1-12-5-2-3-7-17(12)21-19-15-6-4-10-20-18(15)14-9-8-13(22(23)24)11-16(14)19/h2-11H,1H3/b21-19+
InChIKeyKSRSQUGYFRNPTK-XUTLUUPISA-N
MW315.33 g/mol
LogP4.45
Rot. Bonds2

About N-(2-methylphenyl)-7-nitroindeno[1,2-b]pyridin-5-imine

N-(2-methylphenyl)-7-nitroindeno[1,2-b]pyridin-5-imine (PubChem CID 628864) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(2-methylphenyl)-7-nitroindeno[1,2-b]pyridin-5-imine.

Molecular Properties

Compound NameN-(2-methylphenyl)-7-nitroindeno[1,2-b]pyridin-5-imine
PubChem CID628864
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC NameN-(2-methylphenyl)-7-nitroindeno[1,2-b]pyridin-5-imine
SMILESCc1ccccc1/N=C1/c2cc([N+](=O)[O-])ccc2-c2ncccc21
InChIInChI=1S/C19H13N3O2/c1-12-5-2-3-7-17(12)21-19-15-6-4-10-20-18(15)14-9-8-13(22(23)24)11-16(14)19/h2-11H,1H3/b21-19+
InChIKeyKSRSQUGYFRNPTK-XUTLUUPISA-N
XLogP4.45
TPSA68.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-(2-methylphenyl)-7-nitroindeno[1,2-b]pyridin-5-imine?
The IUPAC name of N-(2-methylphenyl)-7-nitroindeno[1,2-b]pyridin-5-imine (CID 628864) is N-(2-methylphenyl)-7-nitroindeno[1,2-b]pyridin-5-imine.
What is the SMILES notation for N-(2-methylphenyl)-7-nitroindeno[1,2-b]pyridin-5-imine?
The canonical SMILES for N-(2-methylphenyl)-7-nitroindeno[1,2-b]pyridin-5-imine is Cc1ccccc1/N=C1/c2cc([N+](=O)[O-])ccc2-c2ncccc21.
What is the InChIKey of N-(2-methylphenyl)-7-nitroindeno[1,2-b]pyridin-5-imine?
The InChIKey is KSRSQUGYFRNPTK-XUTLUUPISA-N. The full InChI is InChI=1S/C19H13N3O2/c1-12-5-2-3-7-17(12)21-19-15-6-4-10-20-18(15)14-9-8-13(22(23)24)11-16(14)19/h2-11H,1H3/b21-19+.
What are the key properties of N-(2-methylphenyl)-7-nitroindeno[1,2-b]pyridin-5-imine?
N-(2-methylphenyl)-7-nitroindeno[1,2-b]pyridin-5-imine has a molecular weight of 315.33 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-7-nitroindeno[1,2-b]pyridin-5-imine is sourced from PubChem (CID 628864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).