1-(2-bicyclo[2.2.1]heptanyl)ethylazanium;pyridine-3-carboxylate

C15H22N2O2 — CID 44782308

IUPAC1-(2-bicyclo[2.2.1]heptanyl)ethylazanium;pyridine-3-carboxylate
SMILESCC([NH3+])C1CC2CCC1C2.O=C([O-])c1cccnc1
InChIInChI=1S/C9H17N.C6H5NO2/c1-6(10)9-5-7-2-3-8(9)4-7;8-6(9)5-2-1-3-7-4-5/h6-9H,2-5,10H2,1H3;1-4H,(H,8,9)
InChIKeyVJMBQRYMHLEERB-UHFFFAOYSA-N
MW262.35 g/mol
LogP0.50
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanyl)ethylazanium;pyridine-3-carboxylate

1-(2-bicyclo[2.2.1]heptanyl)ethylazanium;pyridine-3-carboxylate (PubChem CID 44782308) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)ethylazanium;pyridine-3-carboxylate.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)ethylazanium;pyridine-3-carboxylate
PubChem CID44782308
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)ethylazanium;pyridine-3-carboxylate
SMILESCC([NH3+])C1CC2CCC1C2.O=C([O-])c1cccnc1
InChIInChI=1S/C9H17N.C6H5NO2/c1-6(10)9-5-7-2-3-8(9)4-7;8-6(9)5-2-1-3-7-4-5/h6-9H,2-5,10H2,1H3;1-4H,(H,8,9)
InChIKeyVJMBQRYMHLEERB-UHFFFAOYSA-N
XLogP0.50
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-3-carboxamide
CID 124749087
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide
CID 125073491
neodymium(3+);pyridine-3-carboxylate
CID 23619365
bis(pyridine-3-carboxylate);ruthenium(2+)
CID 87535471
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-4-carboxamide
CID 98104808
1-(2-bicyclo[2.2.1]heptanyl)ethanamine;pyridine-4-carboxylic acid
CID 21204164
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-hydrazinylpyridine-4-carboxamide
CID 105071610
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(1H-pyrazol-5-yl)benzamide
CID 166368495
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
CID 98785915
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 129377016
[(2R)-2-carboxybutan-2-yl]azanium;pyridine-3-carboxylate
CID 169075412
N'-hydroxypyridine-3-carboximidamide;pyridine-3-carboxylate
CID 22353992

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)ethylazanium;pyridine-3-carboxylate?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)ethylazanium;pyridine-3-carboxylate (CID 44782308) is 1-(2-bicyclo[2.2.1]heptanyl)ethylazanium;pyridine-3-carboxylate.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)ethylazanium;pyridine-3-carboxylate?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)ethylazanium;pyridine-3-carboxylate is CC([NH3+])C1CC2CCC1C2.O=C([O-])c1cccnc1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)ethylazanium;pyridine-3-carboxylate?
The InChIKey is VJMBQRYMHLEERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C6H5NO2/c1-6(10)9-5-7-2-3-8(9)4-7;8-6(9)5-2-1-3-7-4-5/h6-9H,2-5,10H2,1H3;1-4H,(H,8,9).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)ethylazanium;pyridine-3-carboxylate?
1-(2-bicyclo[2.2.1]heptanyl)ethylazanium;pyridine-3-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)ethylazanium;pyridine-3-carboxylate is sourced from PubChem (CID 44782308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).