Home > Compound List > Compound details
374063-93-1 molecular structure
click picture or here to close

2-[(2-aminoethyl)amino]pyridine-3-carboxylic acid

ChemBase ID: 73390
Molecular Formular: C8H11N3O2
Molecular Mass: 181.19184
Monoisotopic Mass: 181.08512661
SMILES and InChIs

SMILES:
n1c(c(ccc1)C(=O)O)NCCN
Canonical SMILES:
NCCNc1ncccc1C(=O)O
InChI:
InChI=1S/C8H11N3O2/c9-3-5-11-7-6(8(12)13)2-1-4-10-7/h1-2,4H,3,5,9H2,(H,10,11)(H,12,13)
InChIKey:
LENSCFWMQFKIIQ-UHFFFAOYSA-N

Cite this record

CBID:73390 http://www.chembase.cn/molecule-73390.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(2-aminoethyl)amino]pyridine-3-carboxylic acid
IUPAC Traditional name
2-[(2-aminoethyl)amino]pyridine-3-carboxylic acid
Synonyms
2-[(2-Aminoethyl)amino]nicotinic acid
CAS Number
374063-93-1
MDL Number
MFCD06245331
PubChem SID
162038310
PubChem CID
2771619

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR01488 external link Add to cart Please log in.
Data Source Data ID
PubChem 2771619 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.455259  H Acceptors
H Donor LogD (pH = 5.5) -2.1023421 
LogD (pH = 7.4) -1.9340141  Log P -1.9366201 
Molar Refractivity 49.6144 cm3 Polarizability 18.14154 Å3
Polar Surface Area 88.24 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle