1-(1H-indol-2-yl)-2-pyridin-3-ylethanone

C15H12N2O — CID 852498

IUPAC1-(1H-indol-2-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H12N2O/c18-15(8-11-4-3-7-16-10-11)14-9-12-5-1-2-6-13(12)17-14/h1-7,9-10,17H,8H2
InChIKeyFCWVNIGLANOQIG-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.99
Rot. Bonds3

About 1-(1H-indol-2-yl)-2-pyridin-3-ylethanone

1-(1H-indol-2-yl)-2-pyridin-3-ylethanone (PubChem CID 852498) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(1H-indol-2-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(1H-indol-2-yl)-2-pyridin-3-ylethanone
PubChem CID852498
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name1-(1H-indol-2-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H12N2O/c18-15(8-11-4-3-7-16-10-11)14-9-12-5-1-2-6-13(12)17-14/h1-7,9-10,17H,8H2
InChIKeyFCWVNIGLANOQIG-UHFFFAOYSA-N
XLogP2.99
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-2-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(1H-indol-2-yl)-2-pyridin-3-ylethanone (CID 852498) is 1-(1H-indol-2-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(1H-indol-2-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(1H-indol-2-yl)-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)c1cc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-indol-2-yl)-2-pyridin-3-ylethanone?
The InChIKey is FCWVNIGLANOQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c18-15(8-11-4-3-7-16-10-11)14-9-12-5-1-2-6-13(12)17-14/h1-7,9-10,17H,8H2.
What are the key properties of 1-(1H-indol-2-yl)-2-pyridin-3-ylethanone?
1-(1H-indol-2-yl)-2-pyridin-3-ylethanone has a molecular weight of 236.27 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-2-yl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 852498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).