1-(2-amino-5-methyl-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one

C11H14F2N2O2 — CID 103147037

IUPAC1-(2-amino-5-methyl-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one
SMILESCc1cnc(N)c(C(=O)CCOCC(F)F)c1
InChIInChI=1S/C11H14F2N2O2/c1-7-4-8(11(14)15-5-7)9(16)2-3-17-6-10(12)13/h4-5,10H,2-3,6H2,1H3,(H2,14,15)
InChIKeyVTLORUJGAPUKGF-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.83
Rot. Bonds6

About 1-(2-amino-5-methyl-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one

1-(2-amino-5-methyl-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one (PubChem CID 103147037) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 1-(2-amino-5-methyl-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-(2-amino-5-methyl-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one
PubChem CID103147037
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name1-(2-amino-5-methyl-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one
SMILESCc1cnc(N)c(C(=O)CCOCC(F)F)c1
InChIInChI=1S/C11H14F2N2O2/c1-7-4-8(11(14)15-5-7)9(16)2-3-17-6-10(12)13/h4-5,10H,2-3,6H2,1H3,(H2,14,15)
InChIKeyVTLORUJGAPUKGF-UHFFFAOYSA-N
XLogP1.83
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methyl-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one?
The IUPAC name of 1-(2-amino-5-methyl-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one (CID 103147037) is 1-(2-amino-5-methyl-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one.
What is the SMILES notation for 1-(2-amino-5-methyl-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one?
The canonical SMILES for 1-(2-amino-5-methyl-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one is Cc1cnc(N)c(C(=O)CCOCC(F)F)c1.
What is the InChIKey of 1-(2-amino-5-methyl-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one?
The InChIKey is VTLORUJGAPUKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-7-4-8(11(14)15-5-7)9(16)2-3-17-6-10(12)13/h4-5,10H,2-3,6H2,1H3,(H2,14,15).
What are the key properties of 1-(2-amino-5-methyl-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one?
1-(2-amino-5-methyl-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one has a molecular weight of 244.24 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methyl-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one is sourced from PubChem (CID 103147037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).