7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one

C15H12FN3O2 — CID 84584400

IUPAC7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one
SMILESO=c1c2ncccc2cnn1CCOc1ccccc1F
InChIInChI=1S/C15H12FN3O2/c16-12-5-1-2-6-13(12)21-9-8-19-15(20)14-11(10-18-19)4-3-7-17-14/h1-7,10H,8-9H2
InChIKeyNGBMNTXTAGNMOD-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.01
Rot. Bonds4

About 7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one

7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one (PubChem CID 84584400) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one.

Molecular Properties

Compound Name7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one
PubChem CID84584400
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one
SMILESO=c1c2ncccc2cnn1CCOc1ccccc1F
InChIInChI=1S/C15H12FN3O2/c16-12-5-1-2-6-13(12)21-9-8-19-15(20)14-11(10-18-19)4-3-7-17-14/h1-7,10H,8-9H2
InChIKeyNGBMNTXTAGNMOD-UHFFFAOYSA-N
XLogP2.01
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyridine-2-carboxamide
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CID 10106046
[3-(2-Tert-butyl-4-fluorophenoxy)azetidin-1-yl]-pyridin-2-ylmethanone
CID 59577179
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2985341
Pyridine-2-carboxylic acid [2-(2-o-tolyloxy-acetylamino)-ethyl]-amide
CID 2989437
2-(4-methylphenoxy)-N-[2-(2-pyridylcarbonylamino)ethyl]acetamide
CID 2990967
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
CID 2991309
2-(2-methylphenoxy)-N-[3-(2-pyridylcarbonylamino)propyl]acetamide
CID 2992308
N'-[4-(3-methylphenoxy)butanoyl]pyridine-2-carbohydrazide
CID 4790014
N'-[4-(4-methylphenoxy)butanoyl]pyridine-2-carbohydrazide
CID 4790015
Pyridine-2-carboxylic acid [3-(2-m-tolyloxy-acetylamino)-propyl]-amide
CID 6456985
5-(4-Fluorophenyl)-7,8-dihydro-N-(2-methoxybenzyl)-N,7-dimethyl-8-oxo-6-pyrido[3,4-b]pyridinecarboxamide
CID 9980171

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one?
The IUPAC name of 7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one (CID 84584400) is 7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one.
What is the SMILES notation for 7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one?
The canonical SMILES for 7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one is O=c1c2ncccc2cnn1CCOc1ccccc1F.
What is the InChIKey of 7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one?
The InChIKey is NGBMNTXTAGNMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-12-5-1-2-6-13(12)21-9-8-19-15(20)14-11(10-18-19)4-3-7-17-14/h1-7,10H,8-9H2.
What are the key properties of 7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one?
7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one has a molecular weight of 285.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-fluorophenoxy)ethyl]pyrido[2,3-d]pyridazin-8-one is sourced from PubChem (CID 84584400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).