2-methyl-4,5-dihydro-3H-pyridin-2-ylium-4-carboxylic acid

C7H10NO2+ — CID 58318541

IUPAC2-methyl-4,5-dihydro-3H-pyridin-2-ylium-4-carboxylic acid
SMILESC[C+]1CC(C(=O)O)CC=N1
InChIInChI=1S/C7H9NO2/c1-5-4-6(7(9)10)2-3-8-5/h3,6H,2,4H2,1H3/p+1
InChIKeyMAZYVXIOBDJTLY-UHFFFAOYSA-O
MW140.16 g/mol
LogP1.10
Rot. Bonds1

About 2-methyl-4,5-dihydro-3H-pyridin-2-ylium-4-carboxylic acid

2-methyl-4,5-dihydro-3H-pyridin-2-ylium-4-carboxylic acid (PubChem CID 58318541) has the molecular formula C7H10NO2+ and a molecular weight of 140.16 g/mol. Its IUPAC name is 2-methyl-4,5-dihydro-3H-pyridin-2-ylium-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4,5-dihydro-3H-pyridin-2-ylium-4-carboxylic acid
PubChem CID58318541
Molecular FormulaC7H10NO2+
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC Name2-methyl-4,5-dihydro-3H-pyridin-2-ylium-4-carboxylic acid
SMILESC[C+]1CC(C(=O)O)CC=N1
InChIInChI=1S/C7H9NO2/c1-5-4-6(7(9)10)2-3-8-5/h3,6H,2,4H2,1H3/p+1
InChIKeyMAZYVXIOBDJTLY-UHFFFAOYSA-O
XLogP1.10
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-dihydro-3H-pyridin-2-ylium-4-carboxylic acid?
The IUPAC name of 2-methyl-4,5-dihydro-3H-pyridin-2-ylium-4-carboxylic acid (CID 58318541) is 2-methyl-4,5-dihydro-3H-pyridin-2-ylium-4-carboxylic acid.
What is the SMILES notation for 2-methyl-4,5-dihydro-3H-pyridin-2-ylium-4-carboxylic acid?
The canonical SMILES for 2-methyl-4,5-dihydro-3H-pyridin-2-ylium-4-carboxylic acid is C[C+]1CC(C(=O)O)CC=N1.
What is the InChIKey of 2-methyl-4,5-dihydro-3H-pyridin-2-ylium-4-carboxylic acid?
The InChIKey is MAZYVXIOBDJTLY-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H9NO2/c1-5-4-6(7(9)10)2-3-8-5/h3,6H,2,4H2,1H3/p+1.
What are the key properties of 2-methyl-4,5-dihydro-3H-pyridin-2-ylium-4-carboxylic acid?
2-methyl-4,5-dihydro-3H-pyridin-2-ylium-4-carboxylic acid has a molecular weight of 140.16 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-dihydro-3H-pyridin-2-ylium-4-carboxylic acid is sourced from PubChem (CID 58318541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).