1-[5-fluoro-2-(methylamino)-4-pyridinyl]ethanone

C8H9FN2O — CID 144842704

IUPAC1-[5-fluoro-2-(methylamino)-4-pyridinyl]ethanone
SMILESCNc1cc(C(C)=O)c(F)cn1
InChIInChI=1S/C8H9FN2O/c1-5(12)6-3-8(10-2)11-4-7(6)9/h3-4H,1-2H3,(H,10,11)
InChIKeyRMUKLFAEZKCHMY-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.47
Rot. Bonds2

About 1-[5-fluoro-2-(methylamino)-4-pyridinyl]ethanone

1-[5-fluoro-2-(methylamino)-4-pyridinyl]ethanone (PubChem CID 144842704) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is 1-[5-fluoro-2-(methylamino)-4-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-2-(methylamino)-4-pyridinyl]ethanone
PubChem CID144842704
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC Name1-[5-fluoro-2-(methylamino)-4-pyridinyl]ethanone
SMILESCNc1cc(C(C)=O)c(F)cn1
InChIInChI=1S/C8H9FN2O/c1-5(12)6-3-8(10-2)11-4-7(6)9/h3-4H,1-2H3,(H,10,11)
InChIKeyRMUKLFAEZKCHMY-UHFFFAOYSA-N
XLogP1.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(methylamino)-4-pyridinyl]ethanone?
The IUPAC name of 1-[5-fluoro-2-(methylamino)-4-pyridinyl]ethanone (CID 144842704) is 1-[5-fluoro-2-(methylamino)-4-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-2-(methylamino)-4-pyridinyl]ethanone?
The canonical SMILES for 1-[5-fluoro-2-(methylamino)-4-pyridinyl]ethanone is CNc1cc(C(C)=O)c(F)cn1.
What is the InChIKey of 1-[5-fluoro-2-(methylamino)-4-pyridinyl]ethanone?
The InChIKey is RMUKLFAEZKCHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O/c1-5(12)6-3-8(10-2)11-4-7(6)9/h3-4H,1-2H3,(H,10,11).
What are the key properties of 1-[5-fluoro-2-(methylamino)-4-pyridinyl]ethanone?
1-[5-fluoro-2-(methylamino)-4-pyridinyl]ethanone has a molecular weight of 168.17 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(methylamino)-4-pyridinyl]ethanone is sourced from PubChem (CID 144842704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).