(1R)-1-chloro-7-nitro-1,2-dihydropyrrolo[1,2-a]pyrazine

C7H6ClN3O2 — CID 86318697

IUPAC(1R)-1-chloro-7-nitro-1,2-dihydropyrrolo[1,2-a]pyrazine
SMILESO=[N+]([O-])c1cc2n(c1)C=CN[C@@H]2Cl
InChIInChI=1S/C7H6ClN3O2/c8-7-6-3-5(11(12)13)4-10(6)2-1-9-7/h1-4,7,9H/t7-/m0/s1
InChIKeyDQHMLPTYBMROHV-ZETCQYMHSA-N
MW199.60 g/mol
LogP1.67
Rot. Bonds1

About (1R)-1-chloro-7-nitro-1,2-dihydropyrrolo[1,2-a]pyrazine

(1R)-1-chloro-7-nitro-1,2-dihydropyrrolo[1,2-a]pyrazine (PubChem CID 86318697) has the molecular formula C7H6ClN3O2 and a molecular weight of 199.60 g/mol. Its IUPAC name is (1R)-1-chloro-7-nitro-1,2-dihydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(1R)-1-chloro-7-nitro-1,2-dihydropyrrolo[1,2-a]pyrazine
PubChem CID86318697
Molecular FormulaC7H6ClN3O2
Molecular Weight199.60 g/mol
Exact Mass199.01
IUPAC Name(1R)-1-chloro-7-nitro-1,2-dihydropyrrolo[1,2-a]pyrazine
SMILESO=[N+]([O-])c1cc2n(c1)C=CN[C@@H]2Cl
InChIInChI=1S/C7H6ClN3O2/c8-7-6-3-5(11(12)13)4-10(6)2-1-9-7/h1-4,7,9H/t7-/m0/s1
InChIKeyDQHMLPTYBMROHV-ZETCQYMHSA-N
XLogP1.67
TPSA60.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.60
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-chloro-7-nitro-1,2-dihydropyrrolo[1,2-a]pyrazine?
The IUPAC name of (1R)-1-chloro-7-nitro-1,2-dihydropyrrolo[1,2-a]pyrazine (CID 86318697) is (1R)-1-chloro-7-nitro-1,2-dihydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (1R)-1-chloro-7-nitro-1,2-dihydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for (1R)-1-chloro-7-nitro-1,2-dihydropyrrolo[1,2-a]pyrazine is O=[N+]([O-])c1cc2n(c1)C=CN[C@@H]2Cl.
What is the InChIKey of (1R)-1-chloro-7-nitro-1,2-dihydropyrrolo[1,2-a]pyrazine?
The InChIKey is DQHMLPTYBMROHV-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H6ClN3O2/c8-7-6-3-5(11(12)13)4-10(6)2-1-9-7/h1-4,7,9H/t7-/m0/s1.
What are the key properties of (1R)-1-chloro-7-nitro-1,2-dihydropyrrolo[1,2-a]pyrazine?
(1R)-1-chloro-7-nitro-1,2-dihydropyrrolo[1,2-a]pyrazine has a molecular weight of 199.60 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-chloro-7-nitro-1,2-dihydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 86318697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).