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82019-89-4 molecular structure
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2-chloropyridine-4-carboximidamide hydrochloride

ChemBase ID: 53942
Molecular Formular: C6H7Cl2N3
Molecular Mass: 192.04588
Monoisotopic Mass: 191.0017026
SMILES and InChIs

SMILES:
n1ccc(cc1Cl)C(=N)N.Cl
Canonical SMILES:
Clc1nccc(c1)C(=N)N.Cl
InChI:
InChI=1S/C6H6ClN3.ClH/c7-5-3-4(6(8)9)1-2-10-5;/h1-3H,(H3,8,9);1H
InChIKey:
RHZWWBACBWPWGL-UHFFFAOYSA-N

Cite this record

CBID:53942 http://www.chembase.cn/molecule-53942.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloropyridine-4-carboximidamide hydrochloride
IUPAC Traditional name
2-chloropyridine-4-carboximidamide hydrochloride
Synonyms
2-Chloro-isonicotinamidine hydrochloride
2-chloropyridine-4-carboximidamide hydrochloride
CAS Number
82019-89-4
MDL Number
MFCD11052370
PubChem SID
162058705
PubChem CID
50988634

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 50988634 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.913622  LogD (pH = 7.4) -1.8053038 
Log P 0.5002637  Molar Refractivity 51.4397 cm3
Polarizability 15.081015 Å3 Polar Surface Area 62.76 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
249 - 251°C expand Show data source
Hydrophobicity(logP)
0.446 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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