fluoro 2-(4-methyl-2-oxo-1-pyridinyl)acetate

C8H8FNO3 — CID 144729128

IUPACfluoro 2-(4-methyl-2-oxo-1-pyridinyl)acetate
SMILESCc1ccn(CC(=O)OF)c(=O)c1
InChIInChI=1S/C8H8FNO3/c1-6-2-3-10(7(11)4-6)5-8(12)13-9/h2-4H,5H2,1H3
InChIKeyICHCMEIYWFYONL-UHFFFAOYSA-N
MW185.15 g/mol
LogP0.58
Rot. Bonds2

About fluoro 2-(4-methyl-2-oxo-1-pyridinyl)acetate

fluoro 2-(4-methyl-2-oxo-1-pyridinyl)acetate (PubChem CID 144729128) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is fluoro 2-(4-methyl-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Namefluoro 2-(4-methyl-2-oxo-1-pyridinyl)acetate
PubChem CID144729128
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Namefluoro 2-(4-methyl-2-oxo-1-pyridinyl)acetate
SMILESCc1ccn(CC(=O)OF)c(=O)c1
InChIInChI=1S/C8H8FNO3/c1-6-2-3-10(7(11)4-6)5-8(12)13-9/h2-4H,5H2,1H3
InChIKeyICHCMEIYWFYONL-UHFFFAOYSA-N
XLogP0.58
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Methyl-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 1096408
2-(4-Methyl-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 651661
2-(3-Methyl-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 39103283
2-[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 3611941
2-[2-Oxo-4-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 132372717
Methyl 2-[2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetate
CID 141123847
Fluoro 2-(4-methyl-2-oxo-1-pyridinyl)propanoate
CID 144729145
2-[2-Oxo-4-(trifluoromethyl)-1-pyridinyl]propanoic acid
CID 178641061
2-[(1-Methyl-2-oxopyridine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261115
2-Fluoro-2-(4-methyl-2-oxo-1-pyridinyl)acetic acid
CID 81298020
Ethyl 2-fluoro-2-(4-methyl-2-oxo-1-pyridinyl)acetate
CID 81298148
2-Fluoro-2-(3-methyl-2-oxo-1-pyridinyl)acetic acid
CID 81298415

Frequently Asked Questions

What is the IUPAC name of fluoro 2-(4-methyl-2-oxo-1-pyridinyl)acetate?
The IUPAC name of fluoro 2-(4-methyl-2-oxo-1-pyridinyl)acetate (CID 144729128) is fluoro 2-(4-methyl-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for fluoro 2-(4-methyl-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for fluoro 2-(4-methyl-2-oxo-1-pyridinyl)acetate is Cc1ccn(CC(=O)OF)c(=O)c1.
What is the InChIKey of fluoro 2-(4-methyl-2-oxo-1-pyridinyl)acetate?
The InChIKey is ICHCMEIYWFYONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3/c1-6-2-3-10(7(11)4-6)5-8(12)13-9/h2-4H,5H2,1H3.
What are the key properties of fluoro 2-(4-methyl-2-oxo-1-pyridinyl)acetate?
fluoro 2-(4-methyl-2-oxo-1-pyridinyl)acetate has a molecular weight of 185.15 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-(4-methyl-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 144729128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).