5-chloro-4-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-1H-pyridazin-6-one

C13H11ClFN3O2 — CID 133295746

IUPAC5-chloro-4-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NC2CCOc3ccc(F)cc32)c1Cl
InChIInChI=1S/C13H11ClFN3O2/c14-12-10(6-16-18-13(12)19)17-9-3-4-20-11-2-1-7(15)5-8(9)11/h1-2,5-6,9H,3-4H2,(H2,17,18,19)
InChIKeyGHYFECHRXMRYNR-UHFFFAOYSA-N
MW295.70 g/mol
LogP2.50
Rot. Bonds2

About 5-chloro-4-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-1H-pyridazin-6-one

5-chloro-4-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-1H-pyridazin-6-one (PubChem CID 133295746) has the molecular formula C13H11ClFN3O2 and a molecular weight of 295.70 g/mol. Its IUPAC name is 5-chloro-4-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-1H-pyridazin-6-one
PubChem CID133295746
Molecular FormulaC13H11ClFN3O2
Molecular Weight295.70 g/mol
Exact Mass295.05
IUPAC Name5-chloro-4-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NC2CCOc3ccc(F)cc32)c1Cl
InChIInChI=1S/C13H11ClFN3O2/c14-12-10(6-16-18-13(12)19)17-9-3-4-20-11-2-1-7(15)5-8(9)11/h1-2,5-6,9H,3-4H2,(H2,17,18,19)
InChIKeyGHYFECHRXMRYNR-UHFFFAOYSA-N
XLogP2.50
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-1H-pyridazin-6-one with MolForge

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Related Compounds

2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-3H-quinazolin-4-one
CID 137268379
4-chloro-5-[[(5S)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]-2-phenylpyridazin-3-one
CID 95068270
5-chloro-4-(3,4-dihydro-2H-chromen-4-ylmethylamino)-1H-pyridazin-6-one
CID 133293414
2-fluoro-6-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]benzonitrile
CID 133295832
5-chloro-4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1H-pyridazin-6-one
CID 75414756
6-fluoro-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 133295812
(3R)-6-bromo-3-(2-chloro-5-fluorophenyl)-4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-2,3-dihydroisoindol-1-one
CID 176620148
N-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43195976
1-N-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzene-1,2-diamine
CID 62367472
(4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 124696908
6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43777607
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
CID 110751259

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-1H-pyridazin-6-one (CID 133295746) is 5-chloro-4-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-1H-pyridazin-6-one is O=c1[nH]ncc(NC2CCOc3ccc(F)cc32)c1Cl.
What is the InChIKey of 5-chloro-4-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-1H-pyridazin-6-one?
The InChIKey is GHYFECHRXMRYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O2/c14-12-10(6-16-18-13(12)19)17-9-3-4-20-11-2-1-7(15)5-8(9)11/h1-2,5-6,9H,3-4H2,(H2,17,18,19).
What are the key properties of 5-chloro-4-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-1H-pyridazin-6-one?
5-chloro-4-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-1H-pyridazin-6-one has a molecular weight of 295.70 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 133295746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).