(3-chloropyrazin-2-yl)-cyclopropylmethanone

C8H7ClN2O — CID 175943753

IUPAC(3-chloropyrazin-2-yl)-cyclopropylmethanone
SMILESO=C(c1nccnc1Cl)C1CC1
InChIInChI=1S/C8H7ClN2O/c9-8-6(10-3-4-11-8)7(12)5-1-2-5/h3-5H,1-2H2
InChIKeyJTJVLOIMYKRZEZ-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.72
Rot. Bonds2

About (3-chloropyrazin-2-yl)-cyclopropylmethanone

(3-chloropyrazin-2-yl)-cyclopropylmethanone (PubChem CID 175943753) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is (3-chloropyrazin-2-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(3-chloropyrazin-2-yl)-cyclopropylmethanone
PubChem CID175943753
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name(3-chloropyrazin-2-yl)-cyclopropylmethanone
SMILESO=C(c1nccnc1Cl)C1CC1
InChIInChI=1S/C8H7ClN2O/c9-8-6(10-3-4-11-8)7(12)5-1-2-5/h3-5H,1-2H2
InChIKeyJTJVLOIMYKRZEZ-UHFFFAOYSA-N
XLogP1.72
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chloropyrazin-2-yl)-cyclopropylmethanone?
The IUPAC name of (3-chloropyrazin-2-yl)-cyclopropylmethanone (CID 175943753) is (3-chloropyrazin-2-yl)-cyclopropylmethanone.
What is the SMILES notation for (3-chloropyrazin-2-yl)-cyclopropylmethanone?
The canonical SMILES for (3-chloropyrazin-2-yl)-cyclopropylmethanone is O=C(c1nccnc1Cl)C1CC1.
What is the InChIKey of (3-chloropyrazin-2-yl)-cyclopropylmethanone?
The InChIKey is JTJVLOIMYKRZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c9-8-6(10-3-4-11-8)7(12)5-1-2-5/h3-5H,1-2H2.
What are the key properties of (3-chloropyrazin-2-yl)-cyclopropylmethanone?
(3-chloropyrazin-2-yl)-cyclopropylmethanone has a molecular weight of 182.61 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropyrazin-2-yl)-cyclopropylmethanone is sourced from PubChem (CID 175943753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).