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

C9H10FNO3 — CID 144729145

IUPACfluoro 2-(4-methyl-2-oxo-1-pyridinyl)propanoate
SMILESCc1ccn(C(C)C(=O)OF)c(=O)c1
InChIInChI=1S/C9H10FNO3/c1-6-3-4-11(8(12)5-6)7(2)9(13)14-10/h3-5,7H,1-2H3
InChIKeyLUMQWMJLCSFBJT-UHFFFAOYSA-N
MW199.18 g/mol
LogP1.15
Rot. Bonds2

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

fluoro 2-(4-methyl-2-oxo-1-pyridinyl)propanoate (PubChem CID 144729145) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is fluoro 2-(4-methyl-2-oxo-1-pyridinyl)propanoate.

Molecular Properties

Compound Namefluoro 2-(4-methyl-2-oxo-1-pyridinyl)propanoate
PubChem CID144729145
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Namefluoro 2-(4-methyl-2-oxo-1-pyridinyl)propanoate
SMILESCc1ccn(C(C)C(=O)OF)c(=O)c1
InChIInChI=1S/C9H10FNO3/c1-6-3-4-11(8(12)5-6)7(2)9(13)14-10/h3-5,7H,1-2H3
InChIKeyLUMQWMJLCSFBJT-UHFFFAOYSA-N
XLogP1.15
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
Methyl 2-[2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetate
CID 141123847
Fluoro 2-(4-methyl-2-oxo-1-pyridinyl)acetate
CID 144729128
2-[2-Oxo-4-(trifluoromethyl)-1-pyridinyl]propanoic acid
CID 178641061
Tert-butyl 2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanoate
CID 178641129
(R)-2-(2-Oxopyridin-1(2H)-yl)propanoic acid
CID 94745802
2-[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]propanoic acid
CID 63279567
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
Methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoate
CID 84314128

Frequently Asked Questions

What is the IUPAC name of fluoro 2-(4-methyl-2-oxo-1-pyridinyl)propanoate?
The IUPAC name of fluoro 2-(4-methyl-2-oxo-1-pyridinyl)propanoate (CID 144729145) is fluoro 2-(4-methyl-2-oxo-1-pyridinyl)propanoate.
What is the SMILES notation for fluoro 2-(4-methyl-2-oxo-1-pyridinyl)propanoate?
The canonical SMILES for fluoro 2-(4-methyl-2-oxo-1-pyridinyl)propanoate is Cc1ccn(C(C)C(=O)OF)c(=O)c1.
What is the InChIKey of fluoro 2-(4-methyl-2-oxo-1-pyridinyl)propanoate?
The InChIKey is LUMQWMJLCSFBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c1-6-3-4-11(8(12)5-6)7(2)9(13)14-10/h3-5,7H,1-2H3.
What are the key properties of fluoro 2-(4-methyl-2-oxo-1-pyridinyl)propanoate?
fluoro 2-(4-methyl-2-oxo-1-pyridinyl)propanoate has a molecular weight of 199.18 g/mol, XLogP of 1.15, 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)propanoate is sourced from PubChem (CID 144729145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).