4-(3-chloro-4-fluorophenyl)-2,2-dimethyl-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-3-one

C18H13ClFN3O2 — CID 25052406

IUPAC4-(3-chloro-4-fluorophenyl)-2,2-dimethyl-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-3-one
SMILESCC1(C)OC(c2ccc3ncnn3c2)=C(c2ccc(F)c(Cl)c2)C1=O
InChIInChI=1S/C18H13ClFN3O2/c1-18(2)17(24)15(10-3-5-13(20)12(19)7-10)16(25-18)11-4-6-14-21-9-22-23(14)8-11/h3-9H,1-2H3
InChIKeyIRWYPXIAVZYQHV-UHFFFAOYSA-N
MW357.77 g/mol
LogP3.77
Rot. Bonds2

About 4-(3-chloro-4-fluorophenyl)-2,2-dimethyl-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-3-one

4-(3-chloro-4-fluorophenyl)-2,2-dimethyl-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-3-one (PubChem CID 25052406) has the molecular formula C18H13ClFN3O2 and a molecular weight of 357.77 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-2,2-dimethyl-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-3-one.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-2,2-dimethyl-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-3-one
PubChem CID25052406
Molecular FormulaC18H13ClFN3O2
Molecular Weight357.77 g/mol
Exact Mass357.07
IUPAC Name4-(3-chloro-4-fluorophenyl)-2,2-dimethyl-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-3-one
SMILESCC1(C)OC(c2ccc3ncnn3c2)=C(c2ccc(F)c(Cl)c2)C1=O
InChIInChI=1S/C18H13ClFN3O2/c1-18(2)17(24)15(10-3-5-13(20)12(19)7-10)16(25-18)11-4-6-14-21-9-22-23(14)8-11/h3-9H,1-2H3
InChIKeyIRWYPXIAVZYQHV-UHFFFAOYSA-N
XLogP3.77
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chloro-4-methylsulfanylphenyl)-4-(3-chlorophenyl)-2,2-dimethylfuran-3-one
CID 18386046
4-(4-chlorophenyl)-5-(3-fluoro-4-methylsulfinylphenyl)-2,2-dimethylfuran-3-one
CID 18386031
2-chloro-4-[3-(3-chlorophenyl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide
CID 18386126
4-[2-(4-chlorophenyl)-5,5-dimethyl-4-oxofuran-3-yl]benzenesulfonamide
CID 142769920
6-fluoro-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 137332707
5-(3-bromo-4-methylsulfonylphenyl)-4-(4-chlorophenyl)-2,2-dimethylfuran-3-one
CID 18385636
1-bromo-6-(3-chloro-4-fluorophenyl)-4,4-dimethyl-3,1-benzoxazin-2-one
CID 54538115
7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 90096257
6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 11535564
4-(2,6-difluorophenyl)-5-(3-fluoro-4-methylsulfonylphenyl)-2,2-dimethylfuran-3-one
CID 18385676
1-[5-(3-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione
CID 90081895
6-[2-(3,5-dichlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 90095469

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-2,2-dimethyl-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-3-one?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-2,2-dimethyl-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-3-one (CID 25052406) is 4-(3-chloro-4-fluorophenyl)-2,2-dimethyl-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-3-one.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-2,2-dimethyl-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-3-one?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-2,2-dimethyl-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-3-one is CC1(C)OC(c2ccc3ncnn3c2)=C(c2ccc(F)c(Cl)c2)C1=O.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-2,2-dimethyl-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-3-one?
The InChIKey is IRWYPXIAVZYQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2/c1-18(2)17(24)15(10-3-5-13(20)12(19)7-10)16(25-18)11-4-6-14-21-9-22-23(14)8-11/h3-9H,1-2H3.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-2,2-dimethyl-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-3-one?
4-(3-chloro-4-fluorophenyl)-2,2-dimethyl-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-3-one has a molecular weight of 357.77 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-2,2-dimethyl-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)furan-3-one is sourced from PubChem (CID 25052406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).