1-(2-methyl-5-nitrophenyl)-2-(3-methyl-2-pyridinyl)ethanone

C15H14N2O3 — CID 66447836

IUPAC1-(2-methyl-5-nitrophenyl)-2-(3-methyl-2-pyridinyl)ethanone
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)Cc1ncccc1C
InChIInChI=1S/C15H14N2O3/c1-10-5-6-12(17(19)20)8-13(10)15(18)9-14-11(2)4-3-7-16-14/h3-8H,9H2,1-2H3
InChIKeyHYCWDUHWTJUTGN-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.03
Rot. Bonds4

About 1-(2-methyl-5-nitrophenyl)-2-(3-methyl-2-pyridinyl)ethanone

1-(2-methyl-5-nitrophenyl)-2-(3-methyl-2-pyridinyl)ethanone (PubChem CID 66447836) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-(2-methyl-5-nitrophenyl)-2-(3-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-5-nitrophenyl)-2-(3-methyl-2-pyridinyl)ethanone
PubChem CID66447836
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name1-(2-methyl-5-nitrophenyl)-2-(3-methyl-2-pyridinyl)ethanone
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)Cc1ncccc1C
InChIInChI=1S/C15H14N2O3/c1-10-5-6-12(17(19)20)8-13(10)15(18)9-14-11(2)4-3-7-16-14/h3-8H,9H2,1-2H3
InChIKeyHYCWDUHWTJUTGN-UHFFFAOYSA-N
XLogP3.03
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.03
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

2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone
CID 114552859
(2-methyl-5-nitrophenyl)-pyridin-2-ylmethanone
CID 118813911
2-(3-chlorophenyl)-1-(2-methyl-5-nitrophenyl)ethanone
CID 62505296
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-4-nitrobenzamide
CID 63372813
1-(2-bromo-3-methylphenyl)-2-(3-methyl-2-pyridinyl)ethanone
CID 107982894
2-amino-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide
CID 62059685
1-[2-[(3-methyl-2-pyridinyl)methoxy]-5-nitrophenyl]ethanol
CID 116541889
3-[(2-methyl-5-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 63075197
2-[(3-methyl-2-pyridinyl)methylamino]-5-nitrobenzonitrile
CID 63306358
1-(5-methylfuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 114821426
1-(1-benzofuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 66447636
2-chloro-N-(3-methyl-2-pyridinyl)-4-nitrobenzamide
CID 3273580

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-nitrophenyl)-2-(3-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(2-methyl-5-nitrophenyl)-2-(3-methyl-2-pyridinyl)ethanone (CID 66447836) is 1-(2-methyl-5-nitrophenyl)-2-(3-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(2-methyl-5-nitrophenyl)-2-(3-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(2-methyl-5-nitrophenyl)-2-(3-methyl-2-pyridinyl)ethanone is Cc1ccc([N+](=O)[O-])cc1C(=O)Cc1ncccc1C.
What is the InChIKey of 1-(2-methyl-5-nitrophenyl)-2-(3-methyl-2-pyridinyl)ethanone?
The InChIKey is HYCWDUHWTJUTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-5-6-12(17(19)20)8-13(10)15(18)9-14-11(2)4-3-7-16-14/h3-8H,9H2,1-2H3.
What are the key properties of 1-(2-methyl-5-nitrophenyl)-2-(3-methyl-2-pyridinyl)ethanone?
1-(2-methyl-5-nitrophenyl)-2-(3-methyl-2-pyridinyl)ethanone has a molecular weight of 270.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-nitrophenyl)-2-(3-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 66447836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).