6,7-dichloro-4-(2-fluoroethoxy)-3-(1H-pyrazol-4-yl)-1H-indole

C13H10Cl2FN3O — CID 170426826

IUPAC6,7-dichloro-4-(2-fluoroethoxy)-3-(1H-pyrazol-4-yl)-1H-indole
SMILESFCCOc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
InChIInChI=1S/C13H10Cl2FN3O/c14-9-3-10(20-2-1-16)11-8(7-4-18-19-5-7)6-17-13(11)12(9)15/h3-6,17H,1-2H2,(H,18,19)
InChIKeyTUDATEFUGCCDSZ-UHFFFAOYSA-N
MW314.15 g/mol
LogP4.21
Rot. Bonds4

About 6,7-dichloro-4-(2-fluoroethoxy)-3-(1H-pyrazol-4-yl)-1H-indole

6,7-dichloro-4-(2-fluoroethoxy)-3-(1H-pyrazol-4-yl)-1H-indole (PubChem CID 170426826) has the molecular formula C13H10Cl2FN3O and a molecular weight of 314.15 g/mol. Its IUPAC name is 6,7-dichloro-4-(2-fluoroethoxy)-3-(1H-pyrazol-4-yl)-1H-indole.

Molecular Properties

Compound Name6,7-dichloro-4-(2-fluoroethoxy)-3-(1H-pyrazol-4-yl)-1H-indole
PubChem CID170426826
Molecular FormulaC13H10Cl2FN3O
Molecular Weight314.15 g/mol
Exact Mass313.02
IUPAC Name6,7-dichloro-4-(2-fluoroethoxy)-3-(1H-pyrazol-4-yl)-1H-indole
SMILESFCCOc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
InChIInChI=1S/C13H10Cl2FN3O/c14-9-3-10(20-2-1-16)11-8(7-4-18-19-5-7)6-17-13(11)12(9)15/h3-6,17H,1-2H2,(H,18,19)
InChIKeyTUDATEFUGCCDSZ-UHFFFAOYSA-N
XLogP4.21
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4-(2-fluoroethoxy)-3-(1H-pyrazol-4-yl)-1H-indole?
The IUPAC name of 6,7-dichloro-4-(2-fluoroethoxy)-3-(1H-pyrazol-4-yl)-1H-indole (CID 170426826) is 6,7-dichloro-4-(2-fluoroethoxy)-3-(1H-pyrazol-4-yl)-1H-indole.
What is the SMILES notation for 6,7-dichloro-4-(2-fluoroethoxy)-3-(1H-pyrazol-4-yl)-1H-indole?
The canonical SMILES for 6,7-dichloro-4-(2-fluoroethoxy)-3-(1H-pyrazol-4-yl)-1H-indole is FCCOc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12.
What is the InChIKey of 6,7-dichloro-4-(2-fluoroethoxy)-3-(1H-pyrazol-4-yl)-1H-indole?
The InChIKey is TUDATEFUGCCDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN3O/c14-9-3-10(20-2-1-16)11-8(7-4-18-19-5-7)6-17-13(11)12(9)15/h3-6,17H,1-2H2,(H,18,19).
What are the key properties of 6,7-dichloro-4-(2-fluoroethoxy)-3-(1H-pyrazol-4-yl)-1H-indole?
6,7-dichloro-4-(2-fluoroethoxy)-3-(1H-pyrazol-4-yl)-1H-indole has a molecular weight of 314.15 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-4-(2-fluoroethoxy)-3-(1H-pyrazol-4-yl)-1H-indole is sourced from PubChem (CID 170426826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).