1-[(5-methyl-3-pyridinyl)methyl]-7-nitroindole

C15H13N3O2 — CID 102879264

IUPAC1-[(5-methyl-3-pyridinyl)methyl]-7-nitroindole
SMILESCc1cncc(Cn2ccc3cccc([N+](=O)[O-])c32)c1
InChIInChI=1S/C15H13N3O2/c1-11-7-12(9-16-8-11)10-17-6-5-13-3-2-4-14(15(13)17)18(19)20/h2-9H,10H2,1H3
InChIKeyLUUFMBGXQFSWFI-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.30
Rot. Bonds3

About 1-[(5-methyl-3-pyridinyl)methyl]-7-nitroindole

1-[(5-methyl-3-pyridinyl)methyl]-7-nitroindole (PubChem CID 102879264) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[(5-methyl-3-pyridinyl)methyl]-7-nitroindole.

Molecular Properties

Compound Name1-[(5-methyl-3-pyridinyl)methyl]-7-nitroindole
PubChem CID102879264
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name1-[(5-methyl-3-pyridinyl)methyl]-7-nitroindole
SMILESCc1cncc(Cn2ccc3cccc([N+](=O)[O-])c32)c1
InChIInChI=1S/C15H13N3O2/c1-11-7-12(9-16-8-11)10-17-6-5-13-3-2-4-14(15(13)17)18(19)20/h2-9H,10H2,1H3
InChIKeyLUUFMBGXQFSWFI-UHFFFAOYSA-N
XLogP3.30
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(5-methyl-3-pyridinyl)methyl]-7-nitroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3,5-dimethylphenyl)methyl]-7-nitroindole
CID 114936071
1-[(1-ethylpyrazol-4-yl)methyl]-7-nitroindole
CID 114936188
1-[1-[(5-methyl-3-pyridinyl)methyl]indol-7-yl]propan-2-amine
CID 102917234
1-[(5-fluoro-2-methylphenyl)methyl]-7-nitroindole
CID 105375371
1-[(2,6-dichlorophenyl)methyl]-7-nitroindole
CID 114936176
1-[2-(1-methylpyrazol-4-yl)ethyl]-7-nitroindole
CID 103015566
1-[(2,5-dichlorophenyl)methyl]-7-nitroindole
CID 114936220
2-ethyl-4-[(7-nitroindol-1-yl)methyl]-1,3-thiazole
CID 75469975
1-(2-methylprop-2-enyl)-7-nitroindole
CID 114936103
5-[(7-nitroindol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 114936216
potassium trifluoro-[(7-nitroindol-1-yl)methyl]boranuide
CID 114936019
1-but-3-enyl-7-nitroindole
CID 114936238

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-3-pyridinyl)methyl]-7-nitroindole?
The IUPAC name of 1-[(5-methyl-3-pyridinyl)methyl]-7-nitroindole (CID 102879264) is 1-[(5-methyl-3-pyridinyl)methyl]-7-nitroindole.
What is the SMILES notation for 1-[(5-methyl-3-pyridinyl)methyl]-7-nitroindole?
The canonical SMILES for 1-[(5-methyl-3-pyridinyl)methyl]-7-nitroindole is Cc1cncc(Cn2ccc3cccc([N+](=O)[O-])c32)c1.
What is the InChIKey of 1-[(5-methyl-3-pyridinyl)methyl]-7-nitroindole?
The InChIKey is LUUFMBGXQFSWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-11-7-12(9-16-8-11)10-17-6-5-13-3-2-4-14(15(13)17)18(19)20/h2-9H,10H2,1H3.
What are the key properties of 1-[(5-methyl-3-pyridinyl)methyl]-7-nitroindole?
1-[(5-methyl-3-pyridinyl)methyl]-7-nitroindole has a molecular weight of 267.29 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-3-pyridinyl)methyl]-7-nitroindole is sourced from PubChem (CID 102879264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).