1,4-dimethyl-2H-pyridine-3-carboxylic acid

C8H11NO2 — CID 70630438

IUPAC1,4-dimethyl-2H-pyridine-3-carboxylic acid
SMILESCC1=C(C(=O)O)CN(C)C=C1
InChIInChI=1S/C8H11NO2/c1-6-3-4-9(2)5-7(6)8(10)11/h3-4H,5H2,1-2H3,(H,10,11)
InChIKeyLVSASNTXEFAXFV-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.85
Rot. Bonds1

About 1,4-dimethyl-2H-pyridine-3-carboxylic acid

1,4-dimethyl-2H-pyridine-3-carboxylic acid (PubChem CID 70630438) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1,4-dimethyl-2H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1,4-dimethyl-2H-pyridine-3-carboxylic acid
PubChem CID70630438
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1,4-dimethyl-2H-pyridine-3-carboxylic acid
SMILESCC1=C(C(=O)O)CN(C)C=C1
InChIInChI=1S/C8H11NO2/c1-6-3-4-9(2)5-7(6)8(10)11/h3-4H,5H2,1-2H3,(H,10,11)
InChIKeyLVSASNTXEFAXFV-UHFFFAOYSA-N
XLogP0.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,4-dimethyl-2H-pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2H-pyridine-3-carboxylic acid?
The IUPAC name of 1,4-dimethyl-2H-pyridine-3-carboxylic acid (CID 70630438) is 1,4-dimethyl-2H-pyridine-3-carboxylic acid.
What is the SMILES notation for 1,4-dimethyl-2H-pyridine-3-carboxylic acid?
The canonical SMILES for 1,4-dimethyl-2H-pyridine-3-carboxylic acid is CC1=C(C(=O)O)CN(C)C=C1.
What is the InChIKey of 1,4-dimethyl-2H-pyridine-3-carboxylic acid?
The InChIKey is LVSASNTXEFAXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6-3-4-9(2)5-7(6)8(10)11/h3-4H,5H2,1-2H3,(H,10,11).
What are the key properties of 1,4-dimethyl-2H-pyridine-3-carboxylic acid?
1,4-dimethyl-2H-pyridine-3-carboxylic acid has a molecular weight of 153.18 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2H-pyridine-3-carboxylic acid is sourced from PubChem (CID 70630438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).