Home > Compound List > Compound details
135432-77-8 molecular structure
click picture or here to close

6-(4-chlorophenyl)pyridine-2-carboxylic acid

ChemBase ID: 811504
Molecular Formular: C12H8ClNO2
Molecular Mass: 233.65042
Monoisotopic Mass: 233.02435618
SMILES and InChIs

SMILES:
OC(=O)c1cccc(n1)c1ccc(cc1)Cl
Canonical SMILES:
Clc1ccc(cc1)c1cccc(n1)C(=O)O
InChI:
InChI=1S/C12H8ClNO2/c13-9-6-4-8(5-7-9)10-2-1-3-11(14-10)12(15)16/h1-7H,(H,15,16)
InChIKey:
JFMADCMXBNACFK-UHFFFAOYSA-N

Cite this record

CBID:811504 http://www.chembase.cn/molecule-811504.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(4-chlorophenyl)pyridine-2-carboxylic acid
IUPAC Traditional name
6-(4-chlorophenyl)pyridine-2-carboxylic acid
Synonyms
6-(4-CHLOROPHENYL)PICOLINIC ACID
CAS Number
135432-77-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O30914 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O30914 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 0.9468272  H Acceptors
H Donor LogD (pH = 5.5) 1.5275419 
LogD (pH = 7.4) 0.121563494  Log P 2.2079673 
Molar Refractivity 60.3543 cm3 Polarizability 24.57074 Å3
Polar Surface Area 50.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% 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