methyl 6-cycloheptyloxypyridine-2-carboxylate

C14H19NO3 — CID 86694648

IUPACmethyl 6-cycloheptyloxypyridine-2-carboxylate
SMILESCOC(=O)c1cccc(OC2CCCCCC2)n1
InChIInChI=1S/C14H19NO3/c1-17-14(16)12-9-6-10-13(15-12)18-11-7-4-2-3-5-8-11/h6,9-11H,2-5,7-8H2,1H3
InChIKeyHBXUGNRWVPFVSF-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.97
Rot. Bonds3

About methyl 6-cycloheptyloxypyridine-2-carboxylate

methyl 6-cycloheptyloxypyridine-2-carboxylate (PubChem CID 86694648) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 6-cycloheptyloxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-cycloheptyloxypyridine-2-carboxylate
PubChem CID86694648
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 6-cycloheptyloxypyridine-2-carboxylate
SMILESCOC(=O)c1cccc(OC2CCCCCC2)n1
InChIInChI=1S/C14H19NO3/c1-17-14(16)12-9-6-10-13(15-12)18-11-7-4-2-3-5-8-11/h6,9-11H,2-5,7-8H2,1H3
InChIKeyHBXUGNRWVPFVSF-UHFFFAOYSA-N
XLogP2.97
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyloxypyridine-2-carboxylic acid
CID 146463026
6-cyclohexyloxypyridine-2-carboximidamide
CID 53485053
methyl 6-(cyclohexylmethylcarbamoyl)pyridine-2-carboxylate
CID 170993372
6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylic acid
CID 114340733
(6-cycloheptyloxy-2-pyridinyl)methanol
CID 62239714
4-O-tert-butyl 2-O-methyl 6-cyclobutyloxypyridine-2,4-dicarboxylate
CID 138584763
methyl 2-cyclohexyloxybenzoate
CID 11345342
2-cyclopentyloxy-6-fluoropyridine
CID 61227788
(6-cycloheptyloxy-2-pyridinyl)methanamine
CID 62297875
methyl 6-acetylpyridine-2-carboxylate
CID 11412711
methyl 2-amino-3-cyclohexyloxybenzoate
CID 113333231
methyl 6-(piperidin-4-ylamino)pyridine-2-carboxylate
CID 83841955

Frequently Asked Questions

What is the IUPAC name of methyl 6-cycloheptyloxypyridine-2-carboxylate?
The IUPAC name of methyl 6-cycloheptyloxypyridine-2-carboxylate (CID 86694648) is methyl 6-cycloheptyloxypyridine-2-carboxylate.
What is the SMILES notation for methyl 6-cycloheptyloxypyridine-2-carboxylate?
The canonical SMILES for methyl 6-cycloheptyloxypyridine-2-carboxylate is COC(=O)c1cccc(OC2CCCCCC2)n1.
What is the InChIKey of methyl 6-cycloheptyloxypyridine-2-carboxylate?
The InChIKey is HBXUGNRWVPFVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-14(16)12-9-6-10-13(15-12)18-11-7-4-2-3-5-8-11/h6,9-11H,2-5,7-8H2,1H3.
What are the key properties of methyl 6-cycloheptyloxypyridine-2-carboxylate?
methyl 6-cycloheptyloxypyridine-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-cycloheptyloxypyridine-2-carboxylate is sourced from PubChem (CID 86694648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).