fluoro 5-hydroxy-7-pyridin-3-ylheptanoate

C12H16FNO3 — CID 174893409

IUPACfluoro 5-hydroxy-7-pyridin-3-ylheptanoate
SMILESO=C(CCCC(O)CCc1cccnc1)OF
InChIInChI=1S/C12H16FNO3/c13-17-12(16)5-1-4-11(15)7-6-10-3-2-8-14-9-10/h2-3,8-9,11,15H,1,4-7H2
InChIKeyUUJDLBMAXMHSMI-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.97
Rot. Bonds7

About fluoro 5-hydroxy-7-pyridin-3-ylheptanoate

fluoro 5-hydroxy-7-pyridin-3-ylheptanoate (PubChem CID 174893409) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is fluoro 5-hydroxy-7-pyridin-3-ylheptanoate.

Molecular Properties

Compound Namefluoro 5-hydroxy-7-pyridin-3-ylheptanoate
PubChem CID174893409
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Namefluoro 5-hydroxy-7-pyridin-3-ylheptanoate
SMILESO=C(CCCC(O)CCc1cccnc1)OF
InChIInChI=1S/C12H16FNO3/c13-17-12(16)5-1-4-11(15)7-6-10-3-2-8-14-9-10/h2-3,8-9,11,15H,1,4-7H2
InChIKeyUUJDLBMAXMHSMI-UHFFFAOYSA-N
XLogP1.97
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-3-ylundecan-3-ol
CID 105085819
1-methoxy-4-pyridin-3-ylbutan-2-ol
CID 21334956
2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008
(3S)-1-pyridin-3-ylhex-5-en-3-ol
CID 124576146
4-methyl-1-pyridin-3-ylheptan-3-one
CID 107891307
phenyl 6-hydroxy-8-phenyloctanoate
CID 561941
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol
CID 105076712
4-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 105091191
(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate
CID 174405332
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
methyl 4-hydroxy-5-[methyl(2-pyridin-3-ylethyl)amino]pentanoate
CID 115123658

Frequently Asked Questions

What is the IUPAC name of fluoro 5-hydroxy-7-pyridin-3-ylheptanoate?
The IUPAC name of fluoro 5-hydroxy-7-pyridin-3-ylheptanoate (CID 174893409) is fluoro 5-hydroxy-7-pyridin-3-ylheptanoate.
What is the SMILES notation for fluoro 5-hydroxy-7-pyridin-3-ylheptanoate?
The canonical SMILES for fluoro 5-hydroxy-7-pyridin-3-ylheptanoate is O=C(CCCC(O)CCc1cccnc1)OF.
What is the InChIKey of fluoro 5-hydroxy-7-pyridin-3-ylheptanoate?
The InChIKey is UUJDLBMAXMHSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c13-17-12(16)5-1-4-11(15)7-6-10-3-2-8-14-9-10/h2-3,8-9,11,15H,1,4-7H2.
What are the key properties of fluoro 5-hydroxy-7-pyridin-3-ylheptanoate?
fluoro 5-hydroxy-7-pyridin-3-ylheptanoate has a molecular weight of 241.26 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 5-hydroxy-7-pyridin-3-ylheptanoate is sourced from PubChem (CID 174893409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).