(6-chloropyrimidin-4-yl)-indol-1-ylmethanone

C13H8ClN3O — CID 58386700

IUPAC(6-chloropyrimidin-4-yl)-indol-1-ylmethanone
SMILESO=C(c1cc(Cl)ncn1)n1ccc2ccccc21
InChIInChI=1S/C13H8ClN3O/c14-12-7-10(15-8-16-12)13(18)17-6-5-9-3-1-2-4-11(9)17/h1-8H
InChIKeyAWRQDRICMTVEFM-UHFFFAOYSA-N
MW257.68 g/mol
LogP2.77
Rot. Bonds1

About (6-chloropyrimidin-4-yl)-indol-1-ylmethanone

(6-chloropyrimidin-4-yl)-indol-1-ylmethanone (PubChem CID 58386700) has the molecular formula C13H8ClN3O and a molecular weight of 257.68 g/mol. Its IUPAC name is (6-chloropyrimidin-4-yl)-indol-1-ylmethanone.

Molecular Properties

Compound Name(6-chloropyrimidin-4-yl)-indol-1-ylmethanone
PubChem CID58386700
Molecular FormulaC13H8ClN3O
Molecular Weight257.68 g/mol
Exact Mass257.04
IUPAC Name(6-chloropyrimidin-4-yl)-indol-1-ylmethanone
SMILESO=C(c1cc(Cl)ncn1)n1ccc2ccccc21
InChIInChI=1S/C13H8ClN3O/c14-12-7-10(15-8-16-12)13(18)17-6-5-9-3-1-2-4-11(9)17/h1-8H
InChIKeyAWRQDRICMTVEFM-UHFFFAOYSA-N
XLogP2.77
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloropyrimidin-4-yl)-indol-1-ylmethanone?
The IUPAC name of (6-chloropyrimidin-4-yl)-indol-1-ylmethanone (CID 58386700) is (6-chloropyrimidin-4-yl)-indol-1-ylmethanone.
What is the SMILES notation for (6-chloropyrimidin-4-yl)-indol-1-ylmethanone?
The canonical SMILES for (6-chloropyrimidin-4-yl)-indol-1-ylmethanone is O=C(c1cc(Cl)ncn1)n1ccc2ccccc21.
What is the InChIKey of (6-chloropyrimidin-4-yl)-indol-1-ylmethanone?
The InChIKey is AWRQDRICMTVEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O/c14-12-7-10(15-8-16-12)13(18)17-6-5-9-3-1-2-4-11(9)17/h1-8H.
What are the key properties of (6-chloropyrimidin-4-yl)-indol-1-ylmethanone?
(6-chloropyrimidin-4-yl)-indol-1-ylmethanone has a molecular weight of 257.68 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrimidin-4-yl)-indol-1-ylmethanone is sourced from PubChem (CID 58386700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).