5-cycloheptyloxypyridine-2-carboxylic acid

C13H17NO3 — CID 115491140

IUPAC5-cycloheptyloxypyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OC2CCCCCC2)cn1
InChIInChI=1S/C13H17NO3/c15-13(16)12-8-7-11(9-14-12)17-10-5-3-1-2-4-6-10/h7-10H,1-6H2,(H,15,16)
InChIKeyODEIEIDEYCZBJW-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.88
Rot. Bonds3

About 5-cycloheptyloxypyridine-2-carboxylic acid

5-cycloheptyloxypyridine-2-carboxylic acid (PubChem CID 115491140) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 5-cycloheptyloxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-cycloheptyloxypyridine-2-carboxylic acid
PubChem CID115491140
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name5-cycloheptyloxypyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OC2CCCCCC2)cn1
InChIInChI=1S/C13H17NO3/c15-13(16)12-8-7-11(9-14-12)17-10-5-3-1-2-4-6-10/h7-10H,1-6H2,(H,15,16)
InChIKeyODEIEIDEYCZBJW-UHFFFAOYSA-N
XLogP2.88
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(oxan-4-yloxy)pyridine-2-carboxylic acid
CID 66570796
5-(cyclopentylmethoxy)pyridine-2-carboxylic acid
CID 79794070
4-cyclohexyloxypyridine-2-carboxylic acid
CID 43142909
1-[5-(3-methoxycyclohexyl)oxy-2-pyridinyl]ethanone
CID 83120164
5-cyclobutyloxy-N'-hydroxypyridine-2-carboximidamide
CID 136990877
(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enal
CID 167298749
1-[5-(4,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanone
CID 114341234
4-(4-cyclohexyloxyphenyl)benzoic acid
CID 23005106
2-(chloromethyl)-5-cycloheptyloxypyridine
CID 82929271
1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-one
CID 112583867
5-[cyclopentyl(methyl)amino]pyridine-2-carboxylic acid
CID 115490773
(3-phenoxypiperidin-1-yl)-(5-phenoxy-2-pyridinyl)methanone
CID 166232036

Frequently Asked Questions

What is the IUPAC name of 5-cycloheptyloxypyridine-2-carboxylic acid?
The IUPAC name of 5-cycloheptyloxypyridine-2-carboxylic acid (CID 115491140) is 5-cycloheptyloxypyridine-2-carboxylic acid.
What is the SMILES notation for 5-cycloheptyloxypyridine-2-carboxylic acid?
The canonical SMILES for 5-cycloheptyloxypyridine-2-carboxylic acid is O=C(O)c1ccc(OC2CCCCCC2)cn1.
What is the InChIKey of 5-cycloheptyloxypyridine-2-carboxylic acid?
The InChIKey is ODEIEIDEYCZBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-13(16)12-8-7-11(9-14-12)17-10-5-3-1-2-4-6-10/h7-10H,1-6H2,(H,15,16).
What are the key properties of 5-cycloheptyloxypyridine-2-carboxylic acid?
5-cycloheptyloxypyridine-2-carboxylic acid has a molecular weight of 235.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptyloxypyridine-2-carboxylic acid is sourced from PubChem (CID 115491140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).