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

C9H12N2O3 — CID 117096540

IUPAC2-(2-aminopropoxy)pyridine-3-carboxylic acid
SMILESCC(N)COc1ncccc1C(=O)O
InChIInChI=1S/C9H12N2O3/c1-6(10)5-14-8-7(9(12)13)3-2-4-11-8/h2-4,6H,5,10H2,1H3,(H,12,13)
InChIKeyKQEGWHGWKKINSV-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.51
Rot. Bonds4

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

2-(2-aminopropoxy)pyridine-3-carboxylic acid (PubChem CID 117096540) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(2-aminopropoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminopropoxy)pyridine-3-carboxylic acid
PubChem CID117096540
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(2-aminopropoxy)pyridine-3-carboxylic acid
SMILESCC(N)COc1ncccc1C(=O)O
InChIInChI=1S/C9H12N2O3/c1-6(10)5-14-8-7(9(12)13)3-2-4-11-8/h2-4,6H,5,10H2,1H3,(H,12,13)
InChIKeyKQEGWHGWKKINSV-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

2-(2-oxopropoxy)pyridine-3-carboxylic acid
CID 89326483
2-pentan-2-yloxypyridine-3-carboxylic acid
CID 102980912
2-but-2-enoxypyridine-3-carboxylic acid
CID 76938057
3-(2-aminopropoxy)naphthalene-2-carboxylic acid;hydrochloride
CID 170916397
2-but-3-enoxypyridine-3-carboxylic acid
CID 43128784
2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid
CID 66275211
2-(2-methylpropoxy)pyridine-3-carbothioamide
CID 24705507
2-but-3-ynoxypyridine-3-carboxylic acid
CID 106794654
5-(2-aminopropoxy)-2-fluorobenzoic acid;hydrochloride
CID 170915770
2-[2-(2-methylpropoxy)-3-pyridinyl]acetic acid
CID 83884318
2-(4-oxo-4-phenylbutoxy)pyridine-3-carboxylic acid
CID 143555857
2-(2-methylpropyl)pyridine-3-carboxylic acid
CID 83914927

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropoxy)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-aminopropoxy)pyridine-3-carboxylic acid (CID 117096540) is 2-(2-aminopropoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-aminopropoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-aminopropoxy)pyridine-3-carboxylic acid is CC(N)COc1ncccc1C(=O)O.
What is the InChIKey of 2-(2-aminopropoxy)pyridine-3-carboxylic acid?
The InChIKey is KQEGWHGWKKINSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6(10)5-14-8-7(9(12)13)3-2-4-11-8/h2-4,6H,5,10H2,1H3,(H,12,13).
What are the key properties of 2-(2-aminopropoxy)pyridine-3-carboxylic acid?
2-(2-aminopropoxy)pyridine-3-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 2-(2-aminopropoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 117096540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).