2-chloro-6-(dimethylamino)pyridine-4-carboxylic acid

C8H9ClN2O2 — CID 21430354

IUPAC2-chloro-6-(dimethylamino)pyridine-4-carboxylic acid
SMILESCN(C)c1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C8H9ClN2O2/c1-11(2)7-4-5(8(12)13)3-6(9)10-7/h3-4H,1-2H3,(H,12,13)
InChIKeyFZGKYBLWJTYHTF-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.50
Rot. Bonds2

About 2-chloro-6-(dimethylamino)pyridine-4-carboxylic acid

2-chloro-6-(dimethylamino)pyridine-4-carboxylic acid (PubChem CID 21430354) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2-chloro-6-(dimethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(dimethylamino)pyridine-4-carboxylic acid
PubChem CID21430354
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name2-chloro-6-(dimethylamino)pyridine-4-carboxylic acid
SMILESCN(C)c1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C8H9ClN2O2/c1-11(2)7-4-5(8(12)13)3-6(9)10-7/h3-4H,1-2H3,(H,12,13)
InChIKeyFZGKYBLWJTYHTF-UHFFFAOYSA-N
XLogP1.50
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(dimethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(dimethylamino)pyridine-4-carboxylic acid (CID 21430354) is 2-chloro-6-(dimethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(dimethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(dimethylamino)pyridine-4-carboxylic acid is CN(C)c1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(dimethylamino)pyridine-4-carboxylic acid?
The InChIKey is FZGKYBLWJTYHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-11(2)7-4-5(8(12)13)3-6(9)10-7/h3-4H,1-2H3,(H,12,13).
What are the key properties of 2-chloro-6-(dimethylamino)pyridine-4-carboxylic acid?
2-chloro-6-(dimethylamino)pyridine-4-carboxylic acid has a molecular weight of 200.62 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(dimethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 21430354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).