1-(2-amino-4-pyridinyl)-4-(2,2-difluoroethoxy)butan-2-ol

C11H16F2N2O2 — CID 103147862

IUPAC1-(2-amino-4-pyridinyl)-4-(2,2-difluoroethoxy)butan-2-ol
SMILESNc1cc(CC(O)CCOCC(F)F)ccn1
InChIInChI=1S/C11H16F2N2O2/c12-10(13)7-17-4-2-9(16)5-8-1-3-15-11(14)6-8/h1,3,6,9-10,16H,2,4-5,7H2,(H2,14,15)
InChIKeyUFTDJZOCOCJDAT-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.24
Rot. Bonds7

About 1-(2-amino-4-pyridinyl)-4-(2,2-difluoroethoxy)butan-2-ol

1-(2-amino-4-pyridinyl)-4-(2,2-difluoroethoxy)butan-2-ol (PubChem CID 103147862) has the molecular formula C11H16F2N2O2 and a molecular weight of 246.26 g/mol. Its IUPAC name is 1-(2-amino-4-pyridinyl)-4-(2,2-difluoroethoxy)butan-2-ol.

Molecular Properties

Compound Name1-(2-amino-4-pyridinyl)-4-(2,2-difluoroethoxy)butan-2-ol
PubChem CID103147862
Molecular FormulaC11H16F2N2O2
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name1-(2-amino-4-pyridinyl)-4-(2,2-difluoroethoxy)butan-2-ol
SMILESNc1cc(CC(O)CCOCC(F)F)ccn1
InChIInChI=1S/C11H16F2N2O2/c12-10(13)7-17-4-2-9(16)5-8-1-3-15-11(14)6-8/h1,3,6,9-10,16H,2,4-5,7H2,(H2,14,15)
InChIKeyUFTDJZOCOCJDAT-UHFFFAOYSA-N
XLogP1.24
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
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-4-pyridinyl)-4-(2,2-difluoroethoxy)butan-2-ol?
The IUPAC name of 1-(2-amino-4-pyridinyl)-4-(2,2-difluoroethoxy)butan-2-ol (CID 103147862) is 1-(2-amino-4-pyridinyl)-4-(2,2-difluoroethoxy)butan-2-ol.
What is the SMILES notation for 1-(2-amino-4-pyridinyl)-4-(2,2-difluoroethoxy)butan-2-ol?
The canonical SMILES for 1-(2-amino-4-pyridinyl)-4-(2,2-difluoroethoxy)butan-2-ol is Nc1cc(CC(O)CCOCC(F)F)ccn1.
What is the InChIKey of 1-(2-amino-4-pyridinyl)-4-(2,2-difluoroethoxy)butan-2-ol?
The InChIKey is UFTDJZOCOCJDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2/c12-10(13)7-17-4-2-9(16)5-8-1-3-15-11(14)6-8/h1,3,6,9-10,16H,2,4-5,7H2,(H2,14,15).
What are the key properties of 1-(2-amino-4-pyridinyl)-4-(2,2-difluoroethoxy)butan-2-ol?
1-(2-amino-4-pyridinyl)-4-(2,2-difluoroethoxy)butan-2-ol has a molecular weight of 246.26 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-pyridinyl)-4-(2,2-difluoroethoxy)butan-2-ol is sourced from PubChem (CID 103147862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).