(5-nitro-1H-indol-3-yl)-pyridin-3-ylmethanone

C14H9N3O3 — CID 43340513

IUPAC(5-nitro-1H-indol-3-yl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C14H9N3O3/c18-14(9-2-1-5-15-7-9)12-8-16-13-4-3-10(17(19)20)6-11(12)13/h1-8,16H
InChIKeyUEURIGXVWCQEKJ-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.70
Rot. Bonds3

About (5-nitro-1H-indol-3-yl)-pyridin-3-ylmethanone

(5-nitro-1H-indol-3-yl)-pyridin-3-ylmethanone (PubChem CID 43340513) has the molecular formula C14H9N3O3 and a molecular weight of 267.24 g/mol. Its IUPAC name is (5-nitro-1H-indol-3-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(5-nitro-1H-indol-3-yl)-pyridin-3-ylmethanone
PubChem CID43340513
Molecular FormulaC14H9N3O3
Molecular Weight267.24 g/mol
Exact Mass267.06
IUPAC Name(5-nitro-1H-indol-3-yl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C14H9N3O3/c18-14(9-2-1-5-15-7-9)12-8-16-13-4-3-10(17(19)20)6-11(12)13/h1-8,16H
InChIKeyUEURIGXVWCQEKJ-UHFFFAOYSA-N
XLogP2.70
TPSA88.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of (5-nitro-1H-indol-3-yl)-pyridin-3-ylmethanone?
The IUPAC name of (5-nitro-1H-indol-3-yl)-pyridin-3-ylmethanone (CID 43340513) is (5-nitro-1H-indol-3-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (5-nitro-1H-indol-3-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (5-nitro-1H-indol-3-yl)-pyridin-3-ylmethanone is O=C(c1cccnc1)c1c[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of (5-nitro-1H-indol-3-yl)-pyridin-3-ylmethanone?
The InChIKey is UEURIGXVWCQEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3/c18-14(9-2-1-5-15-7-9)12-8-16-13-4-3-10(17(19)20)6-11(12)13/h1-8,16H.
What are the key properties of (5-nitro-1H-indol-3-yl)-pyridin-3-ylmethanone?
(5-nitro-1H-indol-3-yl)-pyridin-3-ylmethanone has a molecular weight of 267.24 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitro-1H-indol-3-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 43340513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).