(2-methyl-5-nitro-2,3-dihydroindol-1-yl)-pyridin-2-ylmethanone

C15H13N3O3 — CID 56825583

IUPAC(2-methyl-5-nitro-2,3-dihydroindol-1-yl)-pyridin-2-ylmethanone
SMILESCC1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccccn1
InChIInChI=1S/C15H13N3O3/c1-10-8-11-9-12(18(20)21)5-6-14(11)17(10)15(19)13-4-2-3-7-16-13/h2-7,9-10H,8H2,1H3
InChIKeyAIWRBXKZIWPUKZ-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.58
Rot. Bonds2

About (2-methyl-5-nitro-2,3-dihydroindol-1-yl)-pyridin-2-ylmethanone

(2-methyl-5-nitro-2,3-dihydroindol-1-yl)-pyridin-2-ylmethanone (PubChem CID 56825583) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is (2-methyl-5-nitro-2,3-dihydroindol-1-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(2-methyl-5-nitro-2,3-dihydroindol-1-yl)-pyridin-2-ylmethanone
PubChem CID56825583
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name(2-methyl-5-nitro-2,3-dihydroindol-1-yl)-pyridin-2-ylmethanone
SMILESCC1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccccn1
InChIInChI=1S/C15H13N3O3/c1-10-8-11-9-12(18(20)21)5-6-14(11)17(10)15(19)13-4-2-3-7-16-13/h2-7,9-10H,8H2,1H3
InChIKeyAIWRBXKZIWPUKZ-UHFFFAOYSA-N
XLogP2.58
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.58
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'}

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Related Compounds

furan-2-yl-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methanone
CID 56825589
(2-methyl-5-nitro-2,3-dihydroindol-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 56825575
6-methyl-4-[(2R)-2-methyl-5-nitro-2,3-dihydroindole-1-carbonyl]-1H-pyridin-2-one
CID 99584557
N-[4-(2-methyl-5-nitro-2,3-dihydroindole-1-carbonyl)phenyl]prop-2-enamide
CID 166403668
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-nitro-1H-indazol-3-yl)methanone
CID 35414080
2-(2-methoxyethoxy)-1-[(2S)-2-methyl-5-nitro-2,3-dihydroindol-1-yl]ethanone
CID 95571191
2-methyl-5-nitro-2,3-dihydroindol-1-amine
CID 154151667
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methyl-5-nitro-2,3-dihydroindol-1-yl]ethanone
CID 95571183
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 93240954
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
CID 110863859
2-methyl-N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
CID 2944621
(E)-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 17320606

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-nitro-2,3-dihydroindol-1-yl)-pyridin-2-ylmethanone?
The IUPAC name of (2-methyl-5-nitro-2,3-dihydroindol-1-yl)-pyridin-2-ylmethanone (CID 56825583) is (2-methyl-5-nitro-2,3-dihydroindol-1-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (2-methyl-5-nitro-2,3-dihydroindol-1-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (2-methyl-5-nitro-2,3-dihydroindol-1-yl)-pyridin-2-ylmethanone is CC1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccccn1.
What is the InChIKey of (2-methyl-5-nitro-2,3-dihydroindol-1-yl)-pyridin-2-ylmethanone?
The InChIKey is AIWRBXKZIWPUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-10-8-11-9-12(18(20)21)5-6-14(11)17(10)15(19)13-4-2-3-7-16-13/h2-7,9-10H,8H2,1H3.
What are the key properties of (2-methyl-5-nitro-2,3-dihydroindol-1-yl)-pyridin-2-ylmethanone?
(2-methyl-5-nitro-2,3-dihydroindol-1-yl)-pyridin-2-ylmethanone has a molecular weight of 283.29 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-nitro-2,3-dihydroindol-1-yl)-pyridin-2-ylmethanone is sourced from PubChem (CID 56825583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).