methyl 5-(5-fluoro-3-pyridinyl)-4-oxopentanoate

C11H12FNO3 — CID 63899877

IUPACmethyl 5-(5-fluoro-3-pyridinyl)-4-oxopentanoate
SMILESCOC(=O)CCC(=O)Cc1cncc(F)c1
InChIInChI=1S/C11H12FNO3/c1-16-11(15)3-2-10(14)5-8-4-9(12)7-13-6-8/h4,6-7H,2-3,5H2,1H3
InChIKeyCZTWCHQVWPAKNV-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.29
Rot. Bonds5

About methyl 5-(5-fluoro-3-pyridinyl)-4-oxopentanoate

methyl 5-(5-fluoro-3-pyridinyl)-4-oxopentanoate (PubChem CID 63899877) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is methyl 5-(5-fluoro-3-pyridinyl)-4-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-(5-fluoro-3-pyridinyl)-4-oxopentanoate
PubChem CID63899877
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Namemethyl 5-(5-fluoro-3-pyridinyl)-4-oxopentanoate
SMILESCOC(=O)CCC(=O)Cc1cncc(F)c1
InChIInChI=1S/C11H12FNO3/c1-16-11(15)3-2-10(14)5-8-4-9(12)7-13-6-8/h4,6-7H,2-3,5H2,1H3
InChIKeyCZTWCHQVWPAKNV-UHFFFAOYSA-N
XLogP1.29
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(3,4-difluorophenyl)-4-oxopentanoate
CID 63899481
methyl 3-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 115694530
methyl 3-[(5-fluoro-3-pyridinyl)methylsulfonyl]butanoate
CID 114084368
1-(5-fluoro-3-pyridinyl)hexan-3-one
CID 64520740
methyl 2-(5-chloro-3-pyridinyl)acetate
CID 91594815
methyl 4-oxo-5-(4-propylphenyl)pentanoate
CID 63900279
methyl 2-(5-propan-2-yl-3-pyridinyl)acetate
CID 20824070
methyl 3-pyrimidin-5-ylpropanoate
CID 18470121
1-(5-bromo-3-pyridinyl)-5-methoxypentan-2-one
CID 104798951
methyl 2-[5-(2-phenylethyl)-3-pyridinyl]acetate
CID 177349061
3-[(5-fluoro-3-pyridinyl)methylamino]propanamide
CID 104953901
methyl 2-(5-fluoro-4-iodo-3-pyridinyl)acetate
CID 131029040

Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-fluoro-3-pyridinyl)-4-oxopentanoate?
The IUPAC name of methyl 5-(5-fluoro-3-pyridinyl)-4-oxopentanoate (CID 63899877) is methyl 5-(5-fluoro-3-pyridinyl)-4-oxopentanoate.
What is the SMILES notation for methyl 5-(5-fluoro-3-pyridinyl)-4-oxopentanoate?
The canonical SMILES for methyl 5-(5-fluoro-3-pyridinyl)-4-oxopentanoate is COC(=O)CCC(=O)Cc1cncc(F)c1.
What is the InChIKey of methyl 5-(5-fluoro-3-pyridinyl)-4-oxopentanoate?
The InChIKey is CZTWCHQVWPAKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-16-11(15)3-2-10(14)5-8-4-9(12)7-13-6-8/h4,6-7H,2-3,5H2,1H3.
What are the key properties of methyl 5-(5-fluoro-3-pyridinyl)-4-oxopentanoate?
methyl 5-(5-fluoro-3-pyridinyl)-4-oxopentanoate has a molecular weight of 225.22 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-fluoro-3-pyridinyl)-4-oxopentanoate is sourced from PubChem (CID 63899877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).