5-[2-(4-fluorophenyl)oxolan-2-yl]pyridine-2-carboxylic acid

C16H14FNO3 — CID 146260178

IUPAC5-[2-(4-fluorophenyl)oxolan-2-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C2(c3ccc(F)cc3)CCCO2)cn1
InChIInChI=1S/C16H14FNO3/c17-13-5-2-11(3-6-13)16(8-1-9-21-16)12-4-7-14(15(19)20)18-10-12/h2-7,10H,1,8-9H2,(H,19,20)
InChIKeyBTNHICPWQRAYSF-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.97
Rot. Bonds3

About 5-[2-(4-fluorophenyl)oxolan-2-yl]pyridine-2-carboxylic acid

5-[2-(4-fluorophenyl)oxolan-2-yl]pyridine-2-carboxylic acid (PubChem CID 146260178) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)oxolan-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)oxolan-2-yl]pyridine-2-carboxylic acid
PubChem CID146260178
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name5-[2-(4-fluorophenyl)oxolan-2-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C2(c3ccc(F)cc3)CCCO2)cn1
InChIInChI=1S/C16H14FNO3/c17-13-5-2-11(3-6-13)16(8-1-9-21-16)12-4-7-14(15(19)20)18-10-12/h2-7,10H,1,8-9H2,(H,19,20)
InChIKeyBTNHICPWQRAYSF-UHFFFAOYSA-N
XLogP2.97
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-[2-(4-fluorophenyl)oxolan-2-yl]anilino]methyl]benzoic acid
CID 163646712
5-(3-hydroxyazetidin-3-yl)pyridine-2-carboxylic acid
CID 138689746
5-(4-fluorophenyl)sulfanylpyridine-2-carboxylic acid
CID 115491187
5-(3-cyanooxolan-3-yl)pyridine-2-carboxylic acid
CID 130407792
methyl 4-[[[4-[2-(4-fluorophenyl)oxolan-2-yl]benzoyl]amino]methyl]benzoate
CID 146260117
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-[1-(4-fluorophenyl)cyclopropyl]methanone
CID 71785139
5-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)pyridine-2-carboxylic acid
CID 134495197
5-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-2-carboxylic acid
CID 106213918
5-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carboxylic acid
CID 83040507
5-(3,5-difluorophenyl)pyridine-2-carboxylic acid
CID 52983927
5-[(4-aminooxane-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 115295266
5-[[1-(2,4-difluorophenyl)cyclobutyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120690311

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)oxolan-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-(4-fluorophenyl)oxolan-2-yl]pyridine-2-carboxylic acid (CID 146260178) is 5-[2-(4-fluorophenyl)oxolan-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(4-fluorophenyl)oxolan-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-(4-fluorophenyl)oxolan-2-yl]pyridine-2-carboxylic acid is O=C(O)c1ccc(C2(c3ccc(F)cc3)CCCO2)cn1.
What is the InChIKey of 5-[2-(4-fluorophenyl)oxolan-2-yl]pyridine-2-carboxylic acid?
The InChIKey is BTNHICPWQRAYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-13-5-2-11(3-6-13)16(8-1-9-21-16)12-4-7-14(15(19)20)18-10-12/h2-7,10H,1,8-9H2,(H,19,20).
What are the key properties of 5-[2-(4-fluorophenyl)oxolan-2-yl]pyridine-2-carboxylic acid?
5-[2-(4-fluorophenyl)oxolan-2-yl]pyridine-2-carboxylic acid has a molecular weight of 287.29 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)oxolan-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 146260178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).