4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one

C10H4Cl2F3N3O — CID 7064019

IUPAC4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H4Cl2F3N3O/c11-6-4-17-18(9(19)8(6)12)7-2-1-5(3-16-7)10(13,14)15/h1-4H
InChIKeyIFVQWALTALBCFO-UHFFFAOYSA-N
MW310.06 g/mol
LogP2.95
Rot. Bonds1

About 4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one

4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one (PubChem CID 7064019) has the molecular formula C10H4Cl2F3N3O and a molecular weight of 310.06 g/mol. Its IUPAC name is 4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
PubChem CID7064019
Molecular FormulaC10H4Cl2F3N3O
Molecular Weight310.06 g/mol
Exact Mass308.97
IUPAC Name4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H4Cl2F3N3O/c11-6-4-17-18(9(19)8(6)12)7-2-1-5(3-16-7)10(13,14)15/h1-4H
InChIKeyIFVQWALTALBCFO-UHFFFAOYSA-N
XLogP2.95
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.06
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]-2,2-dimethylpropanamide
CID 60507712
1-[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]pyrrolidine-3-carboxylic acid
CID 122048613
N-[2-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]ethyl]acetamide
CID 17419898
4-chloro-5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 133337934
5-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 24564638
4-chloro-5-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 137271819
4-chloro-5-[(2-methyl-1-phenylpropyl)amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 24508450
5-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]pentanenitrile
CID 133299904
4-chloro-5-[[4-(difluoromethyl)phenyl]methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 133474686
5-[bis(furan-2-ylmethyl)amino]-4-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 55511508
4-chloro-5-[(1-propan-2-ylpyrazol-4-yl)amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 133275983
4-chloro-5-[cyclohexylmethyl(methyl)amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 25470822

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one (CID 7064019) is 4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The InChIKey is IFVQWALTALBCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2F3N3O/c11-6-4-17-18(9(19)8(6)12)7-2-1-5(3-16-7)10(13,14)15/h1-4H.
What are the key properties of 4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one has a molecular weight of 310.06 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one is sourced from PubChem (CID 7064019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).