1-(2-methyl-3-pyridinyl)-6-nitroindole-3-carbonitrile

C15H10N4O2 — CID 155391971

IUPAC1-(2-methyl-3-pyridinyl)-6-nitroindole-3-carbonitrile
SMILESCc1ncccc1-n1cc(C#N)c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C15H10N4O2/c1-10-14(3-2-6-17-10)18-9-11(8-16)13-5-4-12(19(20)21)7-15(13)18/h2-7,9H,1H3
InChIKeyNUTRNQXZQOPUQW-UHFFFAOYSA-N
MW278.27 g/mol
LogP3.11
Rot. Bonds2

About 1-(2-methyl-3-pyridinyl)-6-nitroindole-3-carbonitrile

1-(2-methyl-3-pyridinyl)-6-nitroindole-3-carbonitrile (PubChem CID 155391971) has the molecular formula C15H10N4O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-(2-methyl-3-pyridinyl)-6-nitroindole-3-carbonitrile.

Molecular Properties

Compound Name1-(2-methyl-3-pyridinyl)-6-nitroindole-3-carbonitrile
PubChem CID155391971
Molecular FormulaC15H10N4O2
Molecular Weight278.27 g/mol
Exact Mass278.08
IUPAC Name1-(2-methyl-3-pyridinyl)-6-nitroindole-3-carbonitrile
SMILESCc1ncccc1-n1cc(C#N)c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C15H10N4O2/c1-10-14(3-2-6-17-10)18-9-11(8-16)13-5-4-12(19(20)21)7-15(13)18/h2-7,9H,1H3
InChIKeyNUTRNQXZQOPUQW-UHFFFAOYSA-N
XLogP3.11
TPSA84.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 53.11
H-Bond Donors ≤ 50
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 1-(2-methyl-3-pyridinyl)-6-nitroindole-3-carbonitrile?
The IUPAC name of 1-(2-methyl-3-pyridinyl)-6-nitroindole-3-carbonitrile (CID 155391971) is 1-(2-methyl-3-pyridinyl)-6-nitroindole-3-carbonitrile.
What is the SMILES notation for 1-(2-methyl-3-pyridinyl)-6-nitroindole-3-carbonitrile?
The canonical SMILES for 1-(2-methyl-3-pyridinyl)-6-nitroindole-3-carbonitrile is Cc1ncccc1-n1cc(C#N)c2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 1-(2-methyl-3-pyridinyl)-6-nitroindole-3-carbonitrile?
The InChIKey is NUTRNQXZQOPUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2/c1-10-14(3-2-6-17-10)18-9-11(8-16)13-5-4-12(19(20)21)7-15(13)18/h2-7,9H,1H3.
What are the key properties of 1-(2-methyl-3-pyridinyl)-6-nitroindole-3-carbonitrile?
1-(2-methyl-3-pyridinyl)-6-nitroindole-3-carbonitrile has a molecular weight of 278.27 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-pyridinyl)-6-nitroindole-3-carbonitrile is sourced from PubChem (CID 155391971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).