5-((6-Chloropyrimidin-4-yl)oxy)-1H-indole

HCID 57455156CAS 630126-16-8
Substructure searchFind similar structures

Basic information

Standard SMILES
Clc1cc(Oc2ccc3[nH]ccc3c2)ncn1
InChIKey
WVLFTHFFYNWPBQ-UHFFFAOYSA-N
Molecular formula
C12H8ClN3O
Average molar mass
245.66 g/mol
Monoisotopic mass
245.03558956

Names & identifiers

Preferred name
5-((6-Chloropyrimidin-4-yl)oxy)-1H-indole
IUPAC
5-(6-chloropyrimidin-4-yl)oxy-1H-indole
English name
5-(6-Chloropyrimidin-4-yloxy)-1H-indole
Molecular formula
C12H8ClN3O
Molecular weight
245.66

Names & synonyms

5-((6-Chloropyrimidin-4-yl)oxy)-1H-indole630126-16-85-(6-chloropyrimidin-4-yl)oxy-1H-indole5-[(6-Chloropyrimidin-4-yl)oxy]-1H-indole5-(6-Chloro-pyrimidin-4-yloxy)-1H-indoleSCHEMBL2434619DTXSID10726603WVLFTHFFYNWPBQ-UHFFFAOYSA-N5-(6-chloro-pyrimidin-4-yloxy)-indole5-(6-Chloropyrimidin-4-yloxy)-1H-indoleDB-3586225-[(6-chloro-4-pyrimidinyl)oxy]-1H-indole
Show more names
1H-Indole, 5-[(6-chloro-4-pyrimidinyl)oxy]-

Database identifiers

CAS
630126-16-8
PubChem CID
57455156
DTXSID
DTXSID10726603

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
50.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
17

Physicochemical properties

Boiling point
450.8 · 450.8±35.0 °C(Predicted)
Density
1.437 · 1.437±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
16.17 · 16.17±0.30(Predicted)

Chemistry & industry

Upstream & downstream products

Suppliers3 total

吉林中科研伸科技有限公司18143011203 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
Alchem Pharmtech,Inc.8485655694 · [email protected]

Related reactions

11 records
New reaction record

Linked notes

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