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

C6H9NO2 — CID 3532

IUPAC1,2,3,6-tetrahydropyridine-5-carboxylic acid
SMILESO=C(O)C1=CCCNC1
InChIInChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9)
InChIKeyQTDZOWFRBNTPQR-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.01
Rot. Bonds1

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

1,2,3,6-tetrahydropyridine-5-carboxylic acid (PubChem CID 3532) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 1,2,3,6-tetrahydropyridine-5-carboxylic acid.

Molecular Properties

Compound Name1,2,3,6-tetrahydropyridine-5-carboxylic acid
PubChem CID3532
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name1,2,3,6-tetrahydropyridine-5-carboxylic acid
SMILESO=C(O)C1=CCCNC1
InChIInChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9)
InChIKeyQTDZOWFRBNTPQR-UHFFFAOYSA-N
XLogP-0.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1,2,3,6-tetrahydropyridin-5-yl)ethylidene]hydroxylamine;hydrochloride
CID 162333644
N-ethyl-N-propyl-1,2,3,6-tetrahydropyridine-5-carboxamide;hydrochloride
CID 142231756
1,2,3,6-tetrahydropyridine-4-carboxylic acid;hydrobromide
CID 12549674
ethene;1,2,3,6-tetrahydropyridine-4-carboxylic acid
CID 142140047
N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl chloride
CID 74952761
2-(1,2,3,6-tetrahydropyridin-5-yl)ethanethioic S-acid
CID 117125675
N-ethyl-2-(1,2,3,6-tetrahydropyridin-5-yl)acetamide
CID 117125669
N-ethyl-3-(1,2,3,6-tetrahydropyridin-5-yl)propanamide
CID 117125760
4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 77174580
7-bromo-2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-5-carboxylic acid
CID 177172242
(1Z)-N-buta-1,3-dien-2-yl-1-(1,2,3,6-tetrahydropyridin-5-yl)penta-1,4-dien-1-amine;ethane
CID 176934502
4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 164576961

Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydropyridine-5-carboxylic acid?
The IUPAC name of 1,2,3,6-tetrahydropyridine-5-carboxylic acid (CID 3532) is 1,2,3,6-tetrahydropyridine-5-carboxylic acid.
What is the SMILES notation for 1,2,3,6-tetrahydropyridine-5-carboxylic acid?
The canonical SMILES for 1,2,3,6-tetrahydropyridine-5-carboxylic acid is O=C(O)C1=CCCNC1.
What is the InChIKey of 1,2,3,6-tetrahydropyridine-5-carboxylic acid?
The InChIKey is QTDZOWFRBNTPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9).
What are the key properties of 1,2,3,6-tetrahydropyridine-5-carboxylic acid?
1,2,3,6-tetrahydropyridine-5-carboxylic acid has a molecular weight of 127.14 g/mol, XLogP of -0.01, 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 is sourced from PubChem (CID 3532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).