1-[(2-fluoro-3-nitrophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one

C19H13FN4O3 — CID 129052059

IUPAC1-[(2-fluoro-3-nitrophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one
SMILESO=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C19H13FN4O3/c20-19-15(2-1-3-17(19)24(26)27)11-23-10-14(6-7-18(23)25)12-4-5-13-9-21-22-16(13)8-12/h1-10H,11H2,(H,21,22)
InChIKeyFGPDXLDYVWWMAG-UHFFFAOYSA-N
MW364.34 g/mol
LogP3.49
Rot. Bonds4

About 1-[(2-fluoro-3-nitrophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one

1-[(2-fluoro-3-nitrophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one (PubChem CID 129052059) has the molecular formula C19H13FN4O3 and a molecular weight of 364.34 g/mol. Its IUPAC name is 1-[(2-fluoro-3-nitrophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2-fluoro-3-nitrophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one
PubChem CID129052059
Molecular FormulaC19H13FN4O3
Molecular Weight364.34 g/mol
Exact Mass364.10
IUPAC Name1-[(2-fluoro-3-nitrophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one
SMILESO=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C19H13FN4O3/c20-19-15(2-1-3-17(19)24(26)27)11-23-10-14(6-7-18(23)25)12-4-5-13-9-21-22-16(13)8-12/h1-10H,11H2,(H,21,22)
InChIKeyFGPDXLDYVWWMAG-UHFFFAOYSA-N
XLogP3.49
TPSA93.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 53.49
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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Related Compounds

5-(3-amino-1H-indazol-6-yl)-1-[(2-fluoro-3-nitrophenyl)methyl]pyridin-2-one
CID 129052055
5-(1H-indazol-6-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one
CID 129052048
1-[[4-(2-aminoethylamino)-3-nitrophenyl]methyl]-5-(1H-indazol-6-yl)pyridin-2-one;hydrochloride
CID 129052017
N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]acetamide
CID 129052064
tert-butyl N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]carbamate
CID 140931435
5-methyl-1-[(2-nitrophenyl)methyl]pyridin-2-one
CID 70330688
(3S,4R)-1-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidine-3,4-diol
CID 107350606
3,5-dibromo-1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole
CID 107350441
2-[4-[(2-fluoro-3-nitrophenyl)methyl]piperazin-1-yl]acetic acid
CID 107350091
6-[4-nitro-2-(trifluoromethyl)phenyl]-1H-indazole
CID 174839288
1-[(2-fluoro-3-nitrophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazole
CID 107348570
1-[(2-fluoro-3-nitrophenyl)methyl]pyrazole-4-sulfonamide
CID 107353788

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-3-nitrophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one?
The IUPAC name of 1-[(2-fluoro-3-nitrophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one (CID 129052059) is 1-[(2-fluoro-3-nitrophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one.
What is the SMILES notation for 1-[(2-fluoro-3-nitrophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one?
The canonical SMILES for 1-[(2-fluoro-3-nitrophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one is O=c1ccc(-c2ccc3cn[nH]c3c2)cn1Cc1cccc([N+](=O)[O-])c1F.
What is the InChIKey of 1-[(2-fluoro-3-nitrophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one?
The InChIKey is FGPDXLDYVWWMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O3/c20-19-15(2-1-3-17(19)24(26)27)11-23-10-14(6-7-18(23)25)12-4-5-13-9-21-22-16(13)8-12/h1-10H,11H2,(H,21,22).
What are the key properties of 1-[(2-fluoro-3-nitrophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one?
1-[(2-fluoro-3-nitrophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one has a molecular weight of 364.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-3-nitrophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one is sourced from PubChem (CID 129052059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).