fluoro 4-acetylpyridine-2-carboxylate

C8H6FNO3 — CID 143534060

IUPACfluoro 4-acetylpyridine-2-carboxylate
SMILESCC(=O)c1ccnc(C(=O)OF)c1
InChIInChI=1S/C8H6FNO3/c1-5(11)6-2-3-10-7(4-6)8(12)13-9/h2-4H,1H3
InChIKeyWBDSAQUZVKOPRZ-UHFFFAOYSA-N
MW183.14 g/mol
LogP1.33
Rot. Bonds2

About fluoro 4-acetylpyridine-2-carboxylate

fluoro 4-acetylpyridine-2-carboxylate (PubChem CID 143534060) has the molecular formula C8H6FNO3 and a molecular weight of 183.14 g/mol. Its IUPAC name is fluoro 4-acetylpyridine-2-carboxylate.

Molecular Properties

Compound Namefluoro 4-acetylpyridine-2-carboxylate
PubChem CID143534060
Molecular FormulaC8H6FNO3
Molecular Weight183.14 g/mol
Exact Mass183.03
IUPAC Namefluoro 4-acetylpyridine-2-carboxylate
SMILESCC(=O)c1ccnc(C(=O)OF)c1
InChIInChI=1S/C8H6FNO3/c1-5(11)6-2-3-10-7(4-6)8(12)13-9/h2-4H,1H3
InChIKeyWBDSAQUZVKOPRZ-UHFFFAOYSA-N
XLogP1.33
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.14
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(3-acetylphenyl)pyridine-2-carboxylate
CID 164543652
1-(2-amino-4-pyridinyl)ethanone
CID 13145258
bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate
CID 86807799
ethyl 4-acetylpyridine-2-carboxylate;ethyl 4-(2-hydroxypropan-2-yl)pyridine-2-carboxylate;4-(2-hydroxypropan-2-yl)pyridine-2-carboxylic acid;1-pyridin-4-ylethanone
CID 158019087
1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone
CID 141329056
disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride
CID 172849137
4-acetylpyridine-2-carbaldehyde;ethane
CID 142622199
4-(3-acetylphenyl)pyridine-2-carboxylic acid
CID 53223096
2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090859
methyl 4-pyridin-4-ylpyridine-2-carboxylate
CID 46317488
ethyl 4-(4,4,4-trifluoro-3-oxobutanoyl)pyridine-2-carboxylate
CID 58955791
2-N-(3-acetylphenyl)-4-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093072

Frequently Asked Questions

What is the IUPAC name of fluoro 4-acetylpyridine-2-carboxylate?
The IUPAC name of fluoro 4-acetylpyridine-2-carboxylate (CID 143534060) is fluoro 4-acetylpyridine-2-carboxylate.
What is the SMILES notation for fluoro 4-acetylpyridine-2-carboxylate?
The canonical SMILES for fluoro 4-acetylpyridine-2-carboxylate is CC(=O)c1ccnc(C(=O)OF)c1.
What is the InChIKey of fluoro 4-acetylpyridine-2-carboxylate?
The InChIKey is WBDSAQUZVKOPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO3/c1-5(11)6-2-3-10-7(4-6)8(12)13-9/h2-4H,1H3.
What are the key properties of fluoro 4-acetylpyridine-2-carboxylate?
fluoro 4-acetylpyridine-2-carboxylate has a molecular weight of 183.14 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 4-acetylpyridine-2-carboxylate is sourced from PubChem (CID 143534060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).