N-(2-fluoro-5-nitrophenyl)-3,6-dihydro-1H-pyridazine-2-carboxamide

C11H11FN4O3 — CID 10106948

IUPACN-(2-fluoro-5-nitrophenyl)-3,6-dihydro-1H-pyridazine-2-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)N1CC=CCN1
InChIInChI=1S/C11H11FN4O3/c12-9-4-3-8(16(18)19)7-10(9)14-11(17)15-6-2-1-5-13-15/h1-4,7,13H,5-6H2,(H,14,17)
InChIKeyOKCHSDHLEXGHJL-UHFFFAOYSA-N
MW266.23 g/mol
LogP1.64
Rot. Bonds2

About N-(2-fluoro-5-nitrophenyl)-3,6-dihydro-1H-pyridazine-2-carboxamide

N-(2-fluoro-5-nitrophenyl)-3,6-dihydro-1H-pyridazine-2-carboxamide (PubChem CID 10106948) has the molecular formula C11H11FN4O3 and a molecular weight of 266.23 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-3,6-dihydro-1H-pyridazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-3,6-dihydro-1H-pyridazine-2-carboxamide
PubChem CID10106948
Molecular FormulaC11H11FN4O3
Molecular Weight266.23 g/mol
Exact Mass266.08
IUPAC NameN-(2-fluoro-5-nitrophenyl)-3,6-dihydro-1H-pyridazine-2-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)N1CC=CCN1
InChIInChI=1S/C11H11FN4O3/c12-9-4-3-8(16(18)19)7-10(9)14-11(17)15-6-2-1-5-13-15/h1-4,7,13H,5-6H2,(H,14,17)
InChIKeyOKCHSDHLEXGHJL-UHFFFAOYSA-N
XLogP1.64
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-Fluoro-5-nitrophenyl)-3-phenylurea
CID 832988
N-(4-fluoro-3-nitrophenyl)-N'-phenylurea
CID 844760
1-(3-Fluorophenyl)-3-(3-nitrophenyl)urea
CID 310963
1-Methyl-3-(4-nitrophenyl)-1-[(4-nitrophenyl)carbamoylamino]urea
CID 71462978
1-Amino-5-(3-nitroanilino)imidazolidine-2,4-dione
CID 90663678
Urea, 1-methyl-3-(3-nitrophenyl)-1-phenyl-
CID 270327
N-(4-fluorobenzyl)-N'-(3-nitrophenyl)urea
CID 970102
1,1-Dimethyl-3-(3-nitrophenyl)urea
CID 81594
1,1-Diethyl-3-(3-nitrophenyl)urea
CID 303031
1-(Azepan-1-yl)-3-(3-nitrophenyl)urea
CID 259429
1-(Azepan-1-yl)-3-(4-nitrophenyl)urea
CID 259431
1-(3-Nitrophenyl)-1,2,4-triazinan-3-one
CID 10513206

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-3,6-dihydro-1H-pyridazine-2-carboxamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-3,6-dihydro-1H-pyridazine-2-carboxamide (CID 10106948) is N-(2-fluoro-5-nitrophenyl)-3,6-dihydro-1H-pyridazine-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-3,6-dihydro-1H-pyridazine-2-carboxamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-3,6-dihydro-1H-pyridazine-2-carboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1F)N1CC=CCN1.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-3,6-dihydro-1H-pyridazine-2-carboxamide?
The InChIKey is OKCHSDHLEXGHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O3/c12-9-4-3-8(16(18)19)7-10(9)14-11(17)15-6-2-1-5-13-15/h1-4,7,13H,5-6H2,(H,14,17).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-3,6-dihydro-1H-pyridazine-2-carboxamide?
N-(2-fluoro-5-nitrophenyl)-3,6-dihydro-1H-pyridazine-2-carboxamide has a molecular weight of 266.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-3,6-dihydro-1H-pyridazine-2-carboxamide is sourced from PubChem (CID 10106948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).