(5-chloropyrazin-2-yl)-[(3R)-3-fluoropyrrolidin-1-yl]methanone

C9H9ClFN3O — CID 162440671

IUPAC(5-chloropyrazin-2-yl)-[(3R)-3-fluoropyrrolidin-1-yl]methanone
SMILESO=C(c1cnc(Cl)cn1)N1CC[C@@H](F)C1
InChIInChI=1S/C9H9ClFN3O/c10-8-4-12-7(3-13-8)9(15)14-2-1-6(11)5-14/h3-4,6H,1-2,5H2/t6-/m1/s1
InChIKeyJRHIKMSKYOBDCY-ZCFIWIBFSA-N
MW229.64 g/mol
LogP1.31
Rot. Bonds1

About (5-chloropyrazin-2-yl)-[(3R)-3-fluoropyrrolidin-1-yl]methanone

(5-chloropyrazin-2-yl)-[(3R)-3-fluoropyrrolidin-1-yl]methanone (PubChem CID 162440671) has the molecular formula C9H9ClFN3O and a molecular weight of 229.64 g/mol. Its IUPAC name is (5-chloropyrazin-2-yl)-[(3R)-3-fluoropyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloropyrazin-2-yl)-[(3R)-3-fluoropyrrolidin-1-yl]methanone
PubChem CID162440671
Molecular FormulaC9H9ClFN3O
Molecular Weight229.64 g/mol
Exact Mass229.04
IUPAC Name(5-chloropyrazin-2-yl)-[(3R)-3-fluoropyrrolidin-1-yl]methanone
SMILESO=C(c1cnc(Cl)cn1)N1CC[C@@H](F)C1
InChIInChI=1S/C9H9ClFN3O/c10-8-4-12-7(3-13-8)9(15)14-2-1-6(11)5-14/h3-4,6H,1-2,5H2/t6-/m1/s1
InChIKeyJRHIKMSKYOBDCY-ZCFIWIBFSA-N
XLogP1.31
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.64
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloropyrazinamide
CID 181450
6-Chloropyrazine-2-carboxamide
CID 1282529
N-tert-butyl-5-chloropyrazine-2-carboxamide
CID 44586033
5-chloro-N-methylpyrazine-2-carboxamide
CID 59276991
5-chloro-N-propylpyrazine-2-carboxamide
CID 44586032
6-chloro-N,N-dimethylpyrazine-2-carboxamide
CID 28064785
4-((6-Chloro-2-pyrazinyl)carbonyl)morpholine
CID 28064827
2-Chloro-6-(1-pyrrolidinylcarbonyl)pyrazine
CID 28064962
2-Chloro-6-((4-methyl-1-piperazinyl)carbonyl)pyrazine
CID 28064966
5-chloro-N,N-dimethylpyrazine-2-carboxamide
CID 59000470
6-chloro-N-methylpyrazine-2-carboxamide
CID 59333483
5-chloro-N-hexylpyrazine-2-carboxamide
CID 406084

Frequently Asked Questions

What is the IUPAC name of (5-chloropyrazin-2-yl)-[(3R)-3-fluoropyrrolidin-1-yl]methanone?
The IUPAC name of (5-chloropyrazin-2-yl)-[(3R)-3-fluoropyrrolidin-1-yl]methanone (CID 162440671) is (5-chloropyrazin-2-yl)-[(3R)-3-fluoropyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chloropyrazin-2-yl)-[(3R)-3-fluoropyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chloropyrazin-2-yl)-[(3R)-3-fluoropyrrolidin-1-yl]methanone is O=C(c1cnc(Cl)cn1)N1CC[C@@H](F)C1.
What is the InChIKey of (5-chloropyrazin-2-yl)-[(3R)-3-fluoropyrrolidin-1-yl]methanone?
The InChIKey is JRHIKMSKYOBDCY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H9ClFN3O/c10-8-4-12-7(3-13-8)9(15)14-2-1-6(11)5-14/h3-4,6H,1-2,5H2/t6-/m1/s1.
What are the key properties of (5-chloropyrazin-2-yl)-[(3R)-3-fluoropyrrolidin-1-yl]methanone?
(5-chloropyrazin-2-yl)-[(3R)-3-fluoropyrrolidin-1-yl]methanone has a molecular weight of 229.64 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloropyrazin-2-yl)-[(3R)-3-fluoropyrrolidin-1-yl]methanone is sourced from PubChem (CID 162440671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).