1-[2-(2-chloro-6-fluorophenyl)ethyl]-6-oxopyridazine-3-carboxamide

C13H11ClFN3O2 — CID 71914259

IUPAC1-[2-(2-chloro-6-fluorophenyl)ethyl]-6-oxopyridazine-3-carboxamide
SMILESNC(=O)c1ccc(=O)n(CCc2c(F)cccc2Cl)n1
InChIInChI=1S/C13H11ClFN3O2/c14-9-2-1-3-10(15)8(9)6-7-18-12(19)5-4-11(17-18)13(16)20/h1-5H,6-7H2,(H2,16,20)
InChIKeyPSGNZGHJFUQTJT-UHFFFAOYSA-N
MW295.70 g/mol
LogP1.38
Rot. Bonds4

About 1-[2-(2-chloro-6-fluorophenyl)ethyl]-6-oxopyridazine-3-carboxamide

1-[2-(2-chloro-6-fluorophenyl)ethyl]-6-oxopyridazine-3-carboxamide (PubChem CID 71914259) has the molecular formula C13H11ClFN3O2 and a molecular weight of 295.70 g/mol. Its IUPAC name is 1-[2-(2-chloro-6-fluorophenyl)ethyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-chloro-6-fluorophenyl)ethyl]-6-oxopyridazine-3-carboxamide
PubChem CID71914259
Molecular FormulaC13H11ClFN3O2
Molecular Weight295.70 g/mol
Exact Mass295.05
IUPAC Name1-[2-(2-chloro-6-fluorophenyl)ethyl]-6-oxopyridazine-3-carboxamide
SMILESNC(=O)c1ccc(=O)n(CCc2c(F)cccc2Cl)n1
InChIInChI=1S/C13H11ClFN3O2/c14-9-2-1-3-10(15)8(9)6-7-18-12(19)5-4-11(17-18)13(16)20/h1-5H,6-7H2,(H2,16,20)
InChIKeyPSGNZGHJFUQTJT-UHFFFAOYSA-N
XLogP1.38
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-1-prop-2-ynylpyridazine-3-carboxamide
CID 142789345
2-[2-(2-chloro-6-fluorophenyl)ethylsulfanyl]propanamide
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2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one
CID 99844131
2-[(2-chloro-6-fluorophenyl)methyl]-6-(2-fluorophenyl)pyridazin-3-one
CID 51044457
ethyl 2-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-3-oxopyridazine-4-carboxylate
CID 100785113
2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanone
CID 107976486
5-(2-chloro-6-fluorophenyl)-3-hydroxypentanoic acid
CID 82086344
(3S,4S)-1-[2-(2-chloro-6-fluorophenyl)ethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120766
2-[(2-bromo-6-fluorophenyl)methyl]pyrazole-3-carboxamide
CID 167865643
5-[2-(2-chloro-6-fluorophenyl)ethyl]-1,3,4-oxadiazole-2-carboxylic acid
CID 82134414
1-[(2-chloro-6-fluorophenyl)methyl]triazole-4-carboxylic acid
CID 21282641
2-(2-bromoethyl)-1-chloro-3-fluorobenzene
CID 53403497

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)ethyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)ethyl]-6-oxopyridazine-3-carboxamide (CID 71914259) is 1-[2-(2-chloro-6-fluorophenyl)ethyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-chloro-6-fluorophenyl)ethyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-[2-(2-chloro-6-fluorophenyl)ethyl]-6-oxopyridazine-3-carboxamide is NC(=O)c1ccc(=O)n(CCc2c(F)cccc2Cl)n1.
What is the InChIKey of 1-[2-(2-chloro-6-fluorophenyl)ethyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is PSGNZGHJFUQTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O2/c14-9-2-1-3-10(15)8(9)6-7-18-12(19)5-4-11(17-18)13(16)20/h1-5H,6-7H2,(H2,16,20).
What are the key properties of 1-[2-(2-chloro-6-fluorophenyl)ethyl]-6-oxopyridazine-3-carboxamide?
1-[2-(2-chloro-6-fluorophenyl)ethyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 295.70 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-6-fluorophenyl)ethyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 71914259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).