5-(2-aminopropan-2-yl)-1-(3-chloro-4-fluorophenyl)-2-methylpyridin-4-one

C15H16ClFN2O — CID 82420473

IUPAC5-(2-aminopropan-2-yl)-1-(3-chloro-4-fluorophenyl)-2-methylpyridin-4-one
SMILESCc1cc(=O)c(C(C)(C)N)cn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H16ClFN2O/c1-9-6-14(20)11(15(2,3)18)8-19(9)10-4-5-13(17)12(16)7-10/h4-8H,18H2,1-3H3
InChIKeyUIEMRMWLPWQIFH-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.13
Rot. Bonds2

About 5-(2-aminopropan-2-yl)-1-(3-chloro-4-fluorophenyl)-2-methylpyridin-4-one

5-(2-aminopropan-2-yl)-1-(3-chloro-4-fluorophenyl)-2-methylpyridin-4-one (PubChem CID 82420473) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 5-(2-aminopropan-2-yl)-1-(3-chloro-4-fluorophenyl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name5-(2-aminopropan-2-yl)-1-(3-chloro-4-fluorophenyl)-2-methylpyridin-4-one
PubChem CID82420473
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name5-(2-aminopropan-2-yl)-1-(3-chloro-4-fluorophenyl)-2-methylpyridin-4-one
SMILESCc1cc(=O)c(C(C)(C)N)cn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H16ClFN2O/c1-9-6-14(20)11(15(2,3)18)8-19(9)10-4-5-13(17)12(16)7-10/h4-8H,18H2,1-3H3
InChIKeyUIEMRMWLPWQIFH-UHFFFAOYSA-N
XLogP3.13
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropan-2-yl)-1-(3-chloro-4-fluorophenyl)-2-methylpyridin-4-one?
The IUPAC name of 5-(2-aminopropan-2-yl)-1-(3-chloro-4-fluorophenyl)-2-methylpyridin-4-one (CID 82420473) is 5-(2-aminopropan-2-yl)-1-(3-chloro-4-fluorophenyl)-2-methylpyridin-4-one.
What is the SMILES notation for 5-(2-aminopropan-2-yl)-1-(3-chloro-4-fluorophenyl)-2-methylpyridin-4-one?
The canonical SMILES for 5-(2-aminopropan-2-yl)-1-(3-chloro-4-fluorophenyl)-2-methylpyridin-4-one is Cc1cc(=O)c(C(C)(C)N)cn1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 5-(2-aminopropan-2-yl)-1-(3-chloro-4-fluorophenyl)-2-methylpyridin-4-one?
The InChIKey is UIEMRMWLPWQIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-9-6-14(20)11(15(2,3)18)8-19(9)10-4-5-13(17)12(16)7-10/h4-8H,18H2,1-3H3.
What are the key properties of 5-(2-aminopropan-2-yl)-1-(3-chloro-4-fluorophenyl)-2-methylpyridin-4-one?
5-(2-aminopropan-2-yl)-1-(3-chloro-4-fluorophenyl)-2-methylpyridin-4-one has a molecular weight of 294.76 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropan-2-yl)-1-(3-chloro-4-fluorophenyl)-2-methylpyridin-4-one is sourced from PubChem (CID 82420473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).