3-(2-amino-4-pyridinyl)-1,1-difluoropropan-2-ol

C8H10F2N2O — CID 112575631

IUPAC3-(2-amino-4-pyridinyl)-1,1-difluoropropan-2-ol
SMILESNc1cc(CC(O)C(F)F)ccn1
InChIInChI=1S/C8H10F2N2O/c9-8(10)6(13)3-5-1-2-12-7(11)4-5/h1-2,4,6,8,13H,3H2,(H2,11,12)
InChIKeyFPADTNYAVPTIFJ-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.83
Rot. Bonds3

About 3-(2-amino-4-pyridinyl)-1,1-difluoropropan-2-ol

3-(2-amino-4-pyridinyl)-1,1-difluoropropan-2-ol (PubChem CID 112575631) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 3-(2-amino-4-pyridinyl)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-(2-amino-4-pyridinyl)-1,1-difluoropropan-2-ol
PubChem CID112575631
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name3-(2-amino-4-pyridinyl)-1,1-difluoropropan-2-ol
SMILESNc1cc(CC(O)C(F)F)ccn1
InChIInChI=1S/C8H10F2N2O/c9-8(10)6(13)3-5-1-2-12-7(11)4-5/h1-2,4,6,8,13H,3H2,(H2,11,12)
InChIKeyFPADTNYAVPTIFJ-UHFFFAOYSA-N
XLogP0.83
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-pyridinyl)-1,1-difluoropropan-2-ol?
The IUPAC name of 3-(2-amino-4-pyridinyl)-1,1-difluoropropan-2-ol (CID 112575631) is 3-(2-amino-4-pyridinyl)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-(2-amino-4-pyridinyl)-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-(2-amino-4-pyridinyl)-1,1-difluoropropan-2-ol is Nc1cc(CC(O)C(F)F)ccn1.
What is the InChIKey of 3-(2-amino-4-pyridinyl)-1,1-difluoropropan-2-ol?
The InChIKey is FPADTNYAVPTIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c9-8(10)6(13)3-5-1-2-12-7(11)4-5/h1-2,4,6,8,13H,3H2,(H2,11,12).
What are the key properties of 3-(2-amino-4-pyridinyl)-1,1-difluoropropan-2-ol?
3-(2-amino-4-pyridinyl)-1,1-difluoropropan-2-ol has a molecular weight of 188.18 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-pyridinyl)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 112575631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).