2-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]-1-[6-(1-hydroxyethyl)pyridazin-3-yl]ethanone

C20H17F2N3O2 — CID 167595493

IUPAC2-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]-1-[6-(1-hydroxyethyl)pyridazin-3-yl]ethanone
SMILESCC(O)c1ccc(C(=O)Cc2ccc(Cc3ccc(F)c(F)c3)cn2)nn1
InChIInChI=1S/C20H17F2N3O2/c1-12(26)18-6-7-19(25-24-18)20(27)10-15-4-2-14(11-23-15)8-13-3-5-16(21)17(22)9-13/h2-7,9,11-12,26H,8,10H2,1H3
InChIKeyIZWHMVIZFOFPKA-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.22
Rot. Bonds6

About 2-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]-1-[6-(1-hydroxyethyl)pyridazin-3-yl]ethanone

2-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]-1-[6-(1-hydroxyethyl)pyridazin-3-yl]ethanone (PubChem CID 167595493) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is 2-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]-1-[6-(1-hydroxyethyl)pyridazin-3-yl]ethanone.

Molecular Properties

Compound Name2-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]-1-[6-(1-hydroxyethyl)pyridazin-3-yl]ethanone
PubChem CID167595493
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name2-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]-1-[6-(1-hydroxyethyl)pyridazin-3-yl]ethanone
SMILESCC(O)c1ccc(C(=O)Cc2ccc(Cc3ccc(F)c(F)c3)cn2)nn1
InChIInChI=1S/C20H17F2N3O2/c1-12(26)18-6-7-19(25-24-18)20(27)10-15-4-2-14(11-23-15)8-13-3-5-16(21)17(22)9-13/h2-7,9,11-12,26H,8,10H2,1H3
InChIKeyIZWHMVIZFOFPKA-UHFFFAOYSA-N
XLogP3.22
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate
CID 139512431
5-[(3,4-difluorophenyl)methyl]-2-fluoropyridine
CID 143473669
4-fluoro-3-[[6-[2-(1-methyl-6-oxopyridazin-3-yl)-2-oxoethyl]-3-pyridinyl]methyl]benzonitrile
CID 167653480
1-(3,4-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
CID 115822218
5-bromo-N-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]pyrimidine-2-carboxamide
CID 139521632
1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol
CID 83125690
2-(5-ethyl-2-pyridinyl)-1-quinolin-2-ylethanone
CID 79732159
1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone
CID 159260235
2-(3,4-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanone
CID 82920507
2-(5-ethyl-2-pyridinyl)-1-(2-fluorophenyl)ethanone
CID 79746106
2-(3,4-difluoro-5-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone
CID 161484729
1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one
CID 103451397

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]-1-[6-(1-hydroxyethyl)pyridazin-3-yl]ethanone?
The IUPAC name of 2-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]-1-[6-(1-hydroxyethyl)pyridazin-3-yl]ethanone (CID 167595493) is 2-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]-1-[6-(1-hydroxyethyl)pyridazin-3-yl]ethanone.
What is the SMILES notation for 2-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]-1-[6-(1-hydroxyethyl)pyridazin-3-yl]ethanone?
The canonical SMILES for 2-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]-1-[6-(1-hydroxyethyl)pyridazin-3-yl]ethanone is CC(O)c1ccc(C(=O)Cc2ccc(Cc3ccc(F)c(F)c3)cn2)nn1.
What is the InChIKey of 2-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]-1-[6-(1-hydroxyethyl)pyridazin-3-yl]ethanone?
The InChIKey is IZWHMVIZFOFPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-12(26)18-6-7-19(25-24-18)20(27)10-15-4-2-14(11-23-15)8-13-3-5-16(21)17(22)9-13/h2-7,9,11-12,26H,8,10H2,1H3.
What are the key properties of 2-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]-1-[6-(1-hydroxyethyl)pyridazin-3-yl]ethanone?
2-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]-1-[6-(1-hydroxyethyl)pyridazin-3-yl]ethanone has a molecular weight of 369.37 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]-1-[6-(1-hydroxyethyl)pyridazin-3-yl]ethanone is sourced from PubChem (CID 167595493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).