(6-chloropyrazin-2-yl)-(3-fluoropyrrolidin-1-yl)methanone

C9H9ClFN3O — CID 166894366

IUPAC(6-chloropyrazin-2-yl)-(3-fluoropyrrolidin-1-yl)methanone
SMILESO=C(c1cncc(Cl)n1)N1CCC(F)C1
InChIInChI=1S/C9H9ClFN3O/c10-8-4-12-3-7(13-8)9(15)14-2-1-6(11)5-14/h3-4,6H,1-2,5H2
InChIKeyVRQKDIHSBPVONM-UHFFFAOYSA-N
MW229.64 g/mol
LogP1.31
Rot. Bonds1

About (6-chloropyrazin-2-yl)-(3-fluoropyrrolidin-1-yl)methanone

(6-chloropyrazin-2-yl)-(3-fluoropyrrolidin-1-yl)methanone (PubChem CID 166894366) has the molecular formula C9H9ClFN3O and a molecular weight of 229.64 g/mol. Its IUPAC name is (6-chloropyrazin-2-yl)-(3-fluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazin-2-yl)-(3-fluoropyrrolidin-1-yl)methanone
PubChem CID166894366
Molecular FormulaC9H9ClFN3O
Molecular Weight229.64 g/mol
Exact Mass229.04
IUPAC Name(6-chloropyrazin-2-yl)-(3-fluoropyrrolidin-1-yl)methanone
SMILESO=C(c1cncc(Cl)n1)N1CCC(F)C1
InChIInChI=1S/C9H9ClFN3O/c10-8-4-12-3-7(13-8)9(15)14-2-1-6(11)5-14/h3-4,6H,1-2,5H2
InChIKeyVRQKDIHSBPVONM-UHFFFAOYSA-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 (6-chloropyrazin-2-yl)-(3-fluoropyrrolidin-1-yl)methanone?
The IUPAC name of (6-chloropyrazin-2-yl)-(3-fluoropyrrolidin-1-yl)methanone (CID 166894366) is (6-chloropyrazin-2-yl)-(3-fluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for (6-chloropyrazin-2-yl)-(3-fluoropyrrolidin-1-yl)methanone?
The canonical SMILES for (6-chloropyrazin-2-yl)-(3-fluoropyrrolidin-1-yl)methanone is O=C(c1cncc(Cl)n1)N1CCC(F)C1.
What is the InChIKey of (6-chloropyrazin-2-yl)-(3-fluoropyrrolidin-1-yl)methanone?
The InChIKey is VRQKDIHSBPVONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN3O/c10-8-4-12-3-7(13-8)9(15)14-2-1-6(11)5-14/h3-4,6H,1-2,5H2.
What are the key properties of (6-chloropyrazin-2-yl)-(3-fluoropyrrolidin-1-yl)methanone?
(6-chloropyrazin-2-yl)-(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 (6-chloropyrazin-2-yl)-(3-fluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 166894366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).