1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrobromide

C6H10BrNO2 — CID 15560295

IUPAC1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrobromide
SMILESBr.O=C(O)C1=CCCNC1
InChIInChI=1S/C6H9NO2.BrH/c8-6(9)5-2-1-3-7-4-5;/h2,7H,1,3-4H2,(H,8,9);1H
InChIKeyCAQYXXITPFGYGT-UHFFFAOYSA-N
MW208.05 g/mol
LogP0.57
Rot. Bonds1

About 1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrobromide

1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrobromide (PubChem CID 15560295) has the molecular formula C6H10BrNO2 and a molecular weight of 208.05 g/mol. Its IUPAC name is 1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrobromide.

Molecular Properties

Compound Name1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrobromide
PubChem CID15560295
Molecular FormulaC6H10BrNO2
Molecular Weight208.05 g/mol
Exact Mass206.99
IUPAC Name1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrobromide
SMILESBr.O=C(O)C1=CCCNC1
InChIInChI=1S/C6H9NO2.BrH/c8-6(9)5-2-1-3-7-4-5;/h2,7H,1,3-4H2,(H,8,9);1H
InChIKeyCAQYXXITPFGYGT-UHFFFAOYSA-N
XLogP0.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.05
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrobromide?
The IUPAC name of 1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrobromide (CID 15560295) is 1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrobromide.
What is the SMILES notation for 1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrobromide?
The canonical SMILES for 1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrobromide is Br.O=C(O)C1=CCCNC1.
What is the InChIKey of 1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrobromide?
The InChIKey is CAQYXXITPFGYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2.BrH/c8-6(9)5-2-1-3-7-4-5;/h2,7H,1,3-4H2,(H,8,9);1H.
What are the key properties of 1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrobromide?
1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrobromide has a molecular weight of 208.05 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrobromide is sourced from PubChem (CID 15560295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).