5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid

C10H14N2O3 — CID 4738593

IUPAC5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid
SMILESCN(C)CCOc1cncc(C(=O)O)c1
InChIInChI=1S/C10H14N2O3/c1-12(2)3-4-15-9-5-8(10(13)14)6-11-7-9/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyYTHKLFQODBBZGQ-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.72
Rot. Bonds5

About 5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid

5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid (PubChem CID 4738593) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid
PubChem CID4738593
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid
SMILESCN(C)CCOc1cncc(C(=O)O)c1
InChIInChI=1S/C10H14N2O3/c1-12(2)3-4-15-9-5-8(10(13)14)6-11-7-9/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyYTHKLFQODBBZGQ-UHFFFAOYSA-N
XLogP0.72
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butoxypyridine-3-carboxylic acid
CID 63851154
5-[4-(dimethylamino)-4-oxobutoxy]pyridine-3-carboxylic acid
CID 63852203
5-(3,3,3-trifluoropropoxy)pyridine-3-carboxylic acid
CID 64553523
5-(4-methoxybutoxy)pyridine-3-carboxylic acid
CID 104646807
5-hexoxypyridine-3-carboxylic acid
CID 63850317
5-[2-(4-methoxyphenoxy)ethoxy]pyridine-3-carboxylic acid
CID 63851505
5-(5-hydroxypentoxy)pyridine-3-carboxylic acid
CID 63851859
5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid
CID 63851857
5-[2-(diethylamino)-2-oxoethoxy]pyridine-3-carboxylic acid
CID 63851867
5-[3-(4-chlorophenoxy)propoxy]pyridine-3-carboxylic acid
CID 63852389
5-(2-pyridin-4-ylethoxy)pyridine-3-carboxylic acid
CID 55256220
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]pyridine-3-carboxylic acid
CID 167741543

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid (CID 4738593) is 5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid is CN(C)CCOc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid?
The InChIKey is YTHKLFQODBBZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-12(2)3-4-15-9-5-8(10(13)14)6-11-7-9/h5-7H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid?
5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 4738593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).