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10235-65-1 molecular structure
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4,6-dichloro-2-(pyridin-2-yl)pyrimidine

ChemBase ID: 245768
Molecular Formular: C9H5Cl2N3
Molecular Mass: 226.0621
Monoisotopic Mass: 224.98605254
SMILES and InChIs

SMILES:
c1(nc(cc(n1)Cl)Cl)c1ncccc1
Canonical SMILES:
Clc1cc(Cl)nc(n1)c1ccccn1
InChI:
InChI=1S/C9H5Cl2N3/c10-7-5-8(11)14-9(13-7)6-3-1-2-4-12-6/h1-5H
InChIKey:
NBAPGMJZRHWJAA-UHFFFAOYSA-N

Cite this record

CBID:245768 http://www.chembase.cn/molecule-245768.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,6-dichloro-2-(pyridin-2-yl)pyrimidine
IUPAC Traditional name
4,6-dichloro-2-(pyridin-2-yl)pyrimidine
Synonyms
4,6-Dichloro-2-(2-pyridinyl)pyrimidine
4,6-dichloro-2-(pyridin-2-yl)pyrimidine
CAS Number
10235-65-1
MDL Number
MFCD11046810
PubChem SID
164301678
PubChem CID
12057465

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12057465 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2665477  LogD (pH = 7.4) 3.2665837 
Log P 3.2665842  Molar Refractivity 67.3367 cm3
Polarizability 21.830538 Å3 Polar Surface Area 38.67 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
142 - 144°C expand Show data source
Hydrophobicity(logP)
2.054 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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