1-(4,6-dichloro-1H-indol-2-yl)-2-pyridin-3-ylethanone

C15H10Cl2N2O — CID 53326252

IUPAC1-(4,6-dichloro-1H-indol-2-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)c1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C15H10Cl2N2O/c16-10-5-12(17)11-7-14(19-13(11)6-10)15(20)4-9-2-1-3-18-8-9/h1-3,5-8,19H,4H2
InChIKeyDYKKPDBOAZRKMY-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.30
Rot. Bonds3

About 1-(4,6-dichloro-1H-indol-2-yl)-2-pyridin-3-ylethanone

1-(4,6-dichloro-1H-indol-2-yl)-2-pyridin-3-ylethanone (PubChem CID 53326252) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 1-(4,6-dichloro-1H-indol-2-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(4,6-dichloro-1H-indol-2-yl)-2-pyridin-3-ylethanone
PubChem CID53326252
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name1-(4,6-dichloro-1H-indol-2-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)c1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C15H10Cl2N2O/c16-10-5-12(17)11-7-14(19-13(11)6-10)15(20)4-9-2-1-3-18-8-9/h1-3,5-8,19H,4H2
InChIKeyDYKKPDBOAZRKMY-UHFFFAOYSA-N
XLogP4.30
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dichloro-1H-indol-2-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(4,6-dichloro-1H-indol-2-yl)-2-pyridin-3-ylethanone (CID 53326252) is 1-(4,6-dichloro-1H-indol-2-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(4,6-dichloro-1H-indol-2-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(4,6-dichloro-1H-indol-2-yl)-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)c1cc2c(Cl)cc(Cl)cc2[nH]1.
What is the InChIKey of 1-(4,6-dichloro-1H-indol-2-yl)-2-pyridin-3-ylethanone?
The InChIKey is DYKKPDBOAZRKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-10-5-12(17)11-7-14(19-13(11)6-10)15(20)4-9-2-1-3-18-8-9/h1-3,5-8,19H,4H2.
What are the key properties of 1-(4,6-dichloro-1H-indol-2-yl)-2-pyridin-3-ylethanone?
1-(4,6-dichloro-1H-indol-2-yl)-2-pyridin-3-ylethanone has a molecular weight of 305.16 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dichloro-1H-indol-2-yl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 53326252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).