3-(3-aminopropoxy)pyridine-2-carboxylic acid

C9H12N2O3 — CID 63654419

IUPAC3-(3-aminopropoxy)pyridine-2-carboxylic acid
SMILESNCCCOc1cccnc1C(=O)O
InChIInChI=1S/C9H12N2O3/c10-4-2-6-14-7-3-1-5-11-8(7)9(12)13/h1,3,5H,2,4,6,10H2,(H,12,13)
InChIKeyPNOKKDACZGVYQX-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.51
Rot. Bonds5

About 3-(3-aminopropoxy)pyridine-2-carboxylic acid

3-(3-aminopropoxy)pyridine-2-carboxylic acid (PubChem CID 63654419) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-(3-aminopropoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-aminopropoxy)pyridine-2-carboxylic acid
PubChem CID63654419
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-(3-aminopropoxy)pyridine-2-carboxylic acid
SMILESNCCCOc1cccnc1C(=O)O
InChIInChI=1S/C9H12N2O3/c10-4-2-6-14-7-3-1-5-11-8(7)9(12)13/h1,3,5H,2,4,6,10H2,(H,12,13)
InChIKeyPNOKKDACZGVYQX-UHFFFAOYSA-N
XLogP0.51
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

3-(4-carboxybutoxy)pyridine-2-carboxylic acid
CID 69472866
3-(6-prop-2-enoyloxyhexoxy)pyridine-2-carboxylic acid
CID 44820468
3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid
CID 140907193
3-(2-butoxyethoxy)pyridine-2-carboxylic acid
CID 54958022
3-[2-(3-methylbutoxy)ethoxy]pyridine-2-carboxylic acid
CID 54956088
3-[2-(4-fluorophenyl)sulfanylethoxy]pyridine-2-carboxylic acid
CID 61380108
3-[2-(3-bromophenoxy)ethoxy]pyridine-2-carboxylic acid
CID 61380364
3-[2-(2-oxo-1-pyridinyl)ethoxy]pyridine-2-carboxylic acid
CID 82897733
3-[2-(3-methoxypropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380362
3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid
CID 61380261
3-cyanatopyridine-2-carboxylic acid
CID 130739739
3-[(5-chloro-2-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 103046281

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropoxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-(3-aminopropoxy)pyridine-2-carboxylic acid (CID 63654419) is 3-(3-aminopropoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(3-aminopropoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(3-aminopropoxy)pyridine-2-carboxylic acid is NCCCOc1cccnc1C(=O)O.
What is the InChIKey of 3-(3-aminopropoxy)pyridine-2-carboxylic acid?
The InChIKey is PNOKKDACZGVYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c10-4-2-6-14-7-3-1-5-11-8(7)9(12)13/h1,3,5H,2,4,6,10H2,(H,12,13).
What are the key properties of 3-(3-aminopropoxy)pyridine-2-carboxylic acid?
3-(3-aminopropoxy)pyridine-2-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 63654419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).