fluoro 2-(dimethylamino)-2-pyridin-4-ylacetate

C9H11FN2O2 — CID 143630290

IUPACfluoro 2-(dimethylamino)-2-pyridin-4-ylacetate
SMILESCN(C)C(C(=O)OF)c1ccncc1
InChIInChI=1S/C9H11FN2O2/c1-12(2)8(9(13)14-10)7-3-5-11-6-4-7/h3-6,8H,1-2H3
InChIKeyYGPISGYDHWOWOM-UHFFFAOYSA-N
MW198.20 g/mol
LogP1.11
Rot. Bonds3

About fluoro 2-(dimethylamino)-2-pyridin-4-ylacetate

fluoro 2-(dimethylamino)-2-pyridin-4-ylacetate (PubChem CID 143630290) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is fluoro 2-(dimethylamino)-2-pyridin-4-ylacetate.

Molecular Properties

Compound Namefluoro 2-(dimethylamino)-2-pyridin-4-ylacetate
PubChem CID143630290
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Namefluoro 2-(dimethylamino)-2-pyridin-4-ylacetate
SMILESCN(C)C(C(=O)OF)c1ccncc1
InChIInChI=1S/C9H11FN2O2/c1-12(2)8(9(13)14-10)7-3-5-11-6-4-7/h3-6,8H,1-2H3
InChIKeyYGPISGYDHWOWOM-UHFFFAOYSA-N
XLogP1.11
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of fluoro 2-(dimethylamino)-2-pyridin-4-ylacetate?
The IUPAC name of fluoro 2-(dimethylamino)-2-pyridin-4-ylacetate (CID 143630290) is fluoro 2-(dimethylamino)-2-pyridin-4-ylacetate.
What is the SMILES notation for fluoro 2-(dimethylamino)-2-pyridin-4-ylacetate?
The canonical SMILES for fluoro 2-(dimethylamino)-2-pyridin-4-ylacetate is CN(C)C(C(=O)OF)c1ccncc1.
What is the InChIKey of fluoro 2-(dimethylamino)-2-pyridin-4-ylacetate?
The InChIKey is YGPISGYDHWOWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-12(2)8(9(13)14-10)7-3-5-11-6-4-7/h3-6,8H,1-2H3.
What are the key properties of fluoro 2-(dimethylamino)-2-pyridin-4-ylacetate?
fluoro 2-(dimethylamino)-2-pyridin-4-ylacetate has a molecular weight of 198.20 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-(dimethylamino)-2-pyridin-4-ylacetate is sourced from PubChem (CID 143630290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).