2-cycloheptyloxy-5-fluoropyridine-3-carboxylic acid

C13H16FNO3 — CID 114034132

IUPAC2-cycloheptyloxy-5-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1OC1CCCCCC1
InChIInChI=1S/C13H16FNO3/c14-9-7-11(13(16)17)12(15-8-9)18-10-5-3-1-2-4-6-10/h7-8,10H,1-6H2,(H,16,17)
InChIKeyWOHUKLFHTJZMNX-UHFFFAOYSA-N
MW253.27 g/mol
LogP3.02
Rot. Bonds3

About 2-cycloheptyloxy-5-fluoropyridine-3-carboxylic acid

2-cycloheptyloxy-5-fluoropyridine-3-carboxylic acid (PubChem CID 114034132) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-cycloheptyloxy-5-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-cycloheptyloxy-5-fluoropyridine-3-carboxylic acid
PubChem CID114034132
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name2-cycloheptyloxy-5-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1OC1CCCCCC1
InChIInChI=1S/C13H16FNO3/c14-9-7-11(13(16)17)12(15-8-9)18-10-5-3-1-2-4-6-10/h7-8,10H,1-6H2,(H,16,17)
InChIKeyWOHUKLFHTJZMNX-UHFFFAOYSA-N
XLogP3.02
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cycloheptyl(methyl)amino]-5-fluoropyridine-3-carboxylic acid
CID 114034377
5-chloro-6-cyclopentyloxypyridine-3-carboxylic acid
CID 16796007
2-decoxy-5-fluoropyridine-3-carboxylic acid
CID 172846926
3-cyclohexyloxypyrazine-2-carboxylic acid
CID 62702060
2-(3,5-dichlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 114034131
6-cyclobutyloxy-5-cyclopropylpyridine-3-carboxylic acid
CID 89444053
3-cyclopentyloxypyrazine-2-carboxylic acid
CID 62702395
4-(3-methoxycyclohexyl)oxypyrimidine-5-carboxylic acid
CID 114213915
6-cyclopentyloxy-5-phenylpyridine-3-carboxylic acid
CID 134391742
2-(4-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67531661
2-cyclohexyloxy-3-fluoro-5-nitropyridine
CID 176696407
2-amino-5-cyclobutyloxypyridine-4-carboxylic acid
CID 130479587

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyloxy-5-fluoropyridine-3-carboxylic acid?
The IUPAC name of 2-cycloheptyloxy-5-fluoropyridine-3-carboxylic acid (CID 114034132) is 2-cycloheptyloxy-5-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 2-cycloheptyloxy-5-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 2-cycloheptyloxy-5-fluoropyridine-3-carboxylic acid is O=C(O)c1cc(F)cnc1OC1CCCCCC1.
What is the InChIKey of 2-cycloheptyloxy-5-fluoropyridine-3-carboxylic acid?
The InChIKey is WOHUKLFHTJZMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c14-9-7-11(13(16)17)12(15-8-9)18-10-5-3-1-2-4-6-10/h7-8,10H,1-6H2,(H,16,17).
What are the key properties of 2-cycloheptyloxy-5-fluoropyridine-3-carboxylic acid?
2-cycloheptyloxy-5-fluoropyridine-3-carboxylic acid has a molecular weight of 253.27 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyloxy-5-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 114034132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).