5-(3-aminoprop-1-enyl)pyridine-2-carboxylic acid

C9H10N2O2 — CID 169463626

IUPAC5-(3-aminoprop-1-enyl)pyridine-2-carboxylic acid
SMILESNCC=Cc1ccc(C(=O)O)nc1
InChIInChI=1S/C9H10N2O2/c10-5-1-2-7-3-4-8(9(12)13)11-6-7/h1-4,6H,5,10H2,(H,12,13)
InChIKeyRZQYKGABPOSGOS-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.75
Rot. Bonds3

About 5-(3-aminoprop-1-enyl)pyridine-2-carboxylic acid

5-(3-aminoprop-1-enyl)pyridine-2-carboxylic acid (PubChem CID 169463626) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 5-(3-aminoprop-1-enyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-aminoprop-1-enyl)pyridine-2-carboxylic acid
PubChem CID169463626
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name5-(3-aminoprop-1-enyl)pyridine-2-carboxylic acid
SMILESNCC=Cc1ccc(C(=O)O)nc1
InChIInChI=1S/C9H10N2O2/c10-5-1-2-7-3-4-8(9(12)13)11-6-7/h1-4,6H,5,10H2,(H,12,13)
InChIKeyRZQYKGABPOSGOS-UHFFFAOYSA-N
XLogP0.75
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Quinolinic Acid
CID 1066
Fusaric Acid
CID 3442
Picolinic acid
CID 1018
2,5-Pyridinedicarboxylic acid
CID 7493
2,4-Pyridinedicarboxylic acid
CID 10365
Isoquinoline-3-carboxylic acid
CID 124656
5-(Methoxycarbonyl)pyridine-2-carboxylic acid
CID 314992
Zinc Picolinate
CID 9904746
3-Aminopicolinic acid
CID 73836
Phenopicolinic acid
CID 3043792
2-Carboxy-3-pyridineacetic acid
CID 3080554
4-Chloropyridine-2-carboxylic acid
CID 230890

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-enyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(3-aminoprop-1-enyl)pyridine-2-carboxylic acid (CID 169463626) is 5-(3-aminoprop-1-enyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-aminoprop-1-enyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-aminoprop-1-enyl)pyridine-2-carboxylic acid is NCC=Cc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(3-aminoprop-1-enyl)pyridine-2-carboxylic acid?
The InChIKey is RZQYKGABPOSGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-5-1-2-7-3-4-8(9(12)13)11-6-7/h1-4,6H,5,10H2,(H,12,13).
What are the key properties of 5-(3-aminoprop-1-enyl)pyridine-2-carboxylic acid?
5-(3-aminoprop-1-enyl)pyridine-2-carboxylic acid has a molecular weight of 178.19 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-enyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 169463626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).