5-(1H-indazol-6-yl)-1-[(2-nitrophenyl)methyl]pyridin-2-one

C19H14N4O3 — CID 129052078

IUPAC5-(1H-indazol-6-yl)-1-[(2-nitrophenyl)methyl]pyridin-2-one
SMILESO=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H14N4O3/c24-19-8-7-15(13-5-6-14-10-20-21-17(14)9-13)11-22(19)12-16-3-1-2-4-18(16)23(25)26/h1-11H,12H2,(H,20,21)
InChIKeyNVQRKOZIICTBTC-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.35
Rot. Bonds4

About 5-(1H-indazol-6-yl)-1-[(2-nitrophenyl)methyl]pyridin-2-one

5-(1H-indazol-6-yl)-1-[(2-nitrophenyl)methyl]pyridin-2-one (PubChem CID 129052078) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 5-(1H-indazol-6-yl)-1-[(2-nitrophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-(1H-indazol-6-yl)-1-[(2-nitrophenyl)methyl]pyridin-2-one
PubChem CID129052078
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC Name5-(1H-indazol-6-yl)-1-[(2-nitrophenyl)methyl]pyridin-2-one
SMILESO=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H14N4O3/c24-19-8-7-15(13-5-6-14-10-20-21-17(14)9-13)11-22(19)12-16-3-1-2-4-18(16)23(25)26/h1-11H,12H2,(H,20,21)
InChIKeyNVQRKOZIICTBTC-UHFFFAOYSA-N
XLogP3.35
TPSA93.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
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 5-(1H-indazol-6-yl)-1-[(2-nitrophenyl)methyl]pyridin-2-one?
The IUPAC name of 5-(1H-indazol-6-yl)-1-[(2-nitrophenyl)methyl]pyridin-2-one (CID 129052078) is 5-(1H-indazol-6-yl)-1-[(2-nitrophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-(1H-indazol-6-yl)-1-[(2-nitrophenyl)methyl]pyridin-2-one?
The canonical SMILES for 5-(1H-indazol-6-yl)-1-[(2-nitrophenyl)methyl]pyridin-2-one is O=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 5-(1H-indazol-6-yl)-1-[(2-nitrophenyl)methyl]pyridin-2-one?
The InChIKey is NVQRKOZIICTBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3/c24-19-8-7-15(13-5-6-14-10-20-21-17(14)9-13)11-22(19)12-16-3-1-2-4-18(16)23(25)26/h1-11H,12H2,(H,20,21).
What are the key properties of 5-(1H-indazol-6-yl)-1-[(2-nitrophenyl)methyl]pyridin-2-one?
5-(1H-indazol-6-yl)-1-[(2-nitrophenyl)methyl]pyridin-2-one has a molecular weight of 346.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-6-yl)-1-[(2-nitrophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 129052078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).