6-(2-aminopropoxy)pyridine-2-carboxylic acid

C9H12N2O3 — CID 154848823

IUPAC6-(2-aminopropoxy)pyridine-2-carboxylic acid
SMILESCC(N)COc1cccc(C(=O)O)n1
InChIInChI=1S/C9H12N2O3/c1-6(10)5-14-8-4-2-3-7(11-8)9(12)13/h2-4,6H,5,10H2,1H3,(H,12,13)
InChIKeyIJLRLFHWFQHSFJ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.51
Rot. Bonds4

About 6-(2-aminopropoxy)pyridine-2-carboxylic acid

6-(2-aminopropoxy)pyridine-2-carboxylic acid (PubChem CID 154848823) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 6-(2-aminopropoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-aminopropoxy)pyridine-2-carboxylic acid
PubChem CID154848823
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name6-(2-aminopropoxy)pyridine-2-carboxylic acid
SMILESCC(N)COc1cccc(C(=O)O)n1
InChIInChI=1S/C9H12N2O3/c1-6(10)5-14-8-4-2-3-7(11-8)9(12)13/h2-4,6H,5,10H2,1H3,(H,12,13)
InChIKeyIJLRLFHWFQHSFJ-UHFFFAOYSA-N
XLogP0.51
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-(2-aminopropoxy)pyridine-2-carboxylate
CID 155937838
6-(3,3-dimethylbutoxy)pyridine-2-carboxylic acid
CID 66231549
6-(1-ethoxypropan-2-yloxy)pyridine-2-carboxylic acid
CID 103487111
6-(2-phenylethoxy)pyridine-2-carboxylic acid
CID 115001122
6-(trideuteriomethoxy)pyridine-2-carboxylic acid
CID 155291992
6-(4-propan-2-ylphenoxy)pyridine-2-carboxylic acid
CID 62253003
2-(2-aminopropoxy)pyridine-3-carboxylic acid
CID 117096540
6-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid
CID 55066392
6-(piperidin-4-ylmethoxy)pyridine-2-carboxylic acid
CID 51063759
6-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
CID 55125535
6-(2-methylpropoxy)pyrazine-2-carboxylic acid
CID 66456877
CID 91986542
CID 91986542

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropoxy)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2-aminopropoxy)pyridine-2-carboxylic acid (CID 154848823) is 6-(2-aminopropoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-aminopropoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-aminopropoxy)pyridine-2-carboxylic acid is CC(N)COc1cccc(C(=O)O)n1.
What is the InChIKey of 6-(2-aminopropoxy)pyridine-2-carboxylic acid?
The InChIKey is IJLRLFHWFQHSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6(10)5-14-8-4-2-3-7(11-8)9(12)13/h2-4,6H,5,10H2,1H3,(H,12,13).
What are the key properties of 6-(2-aminopropoxy)pyridine-2-carboxylic acid?
6-(2-aminopropoxy)pyridine-2-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopropoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 154848823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).