1-[(2R)-1,2-dimethylpyrrolidine-2-carboximidoyl]-5-fluoropyridin-2-imine

C12H17FN4 — CID 142489736

IUPAC1-[(2R)-1,2-dimethylpyrrolidine-2-carboximidoyl]-5-fluoropyridin-2-imine
SMILES[H]/N=C(/n1cc(F)cc/c1=N\[H])[C@@]1(C)CCCN1C
InChIInChI=1S/C12H17FN4/c1-12(6-3-7-16(12)2)11(15)17-8-9(13)4-5-10(17)14/h4-5,8,14-15H,3,6-7H2,1-2H3/b14-10+,15-11+/t12-/m1/s1
InChIKeyOVVWROSUGIGVIF-PUXAWGQOSA-N
MW236.29 g/mol
LogP1.42
Rot. Bonds1

About 1-[(2R)-1,2-dimethylpyrrolidine-2-carboximidoyl]-5-fluoropyridin-2-imine

1-[(2R)-1,2-dimethylpyrrolidine-2-carboximidoyl]-5-fluoropyridin-2-imine (PubChem CID 142489736) has the molecular formula C12H17FN4 and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-[(2R)-1,2-dimethylpyrrolidine-2-carboximidoyl]-5-fluoropyridin-2-imine.

Molecular Properties

Compound Name1-[(2R)-1,2-dimethylpyrrolidine-2-carboximidoyl]-5-fluoropyridin-2-imine
PubChem CID142489736
Molecular FormulaC12H17FN4
Molecular Weight236.29 g/mol
Exact Mass236.14
IUPAC Name1-[(2R)-1,2-dimethylpyrrolidine-2-carboximidoyl]-5-fluoropyridin-2-imine
SMILES[H]/N=C(/n1cc(F)cc/c1=N\[H])[C@@]1(C)CCCN1C
InChIInChI=1S/C12H17FN4/c1-12(6-3-7-16(12)2)11(15)17-8-9(13)4-5-10(17)14/h4-5,8,14-15H,3,6-7H2,1-2H3/b14-10+,15-11+/t12-/m1/s1
InChIKeyOVVWROSUGIGVIF-PUXAWGQOSA-N
XLogP1.42
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1,2-dimethylpyrrolidine-2-carboximidoyl]-5-fluoropyridin-2-imine?
The IUPAC name of 1-[(2R)-1,2-dimethylpyrrolidine-2-carboximidoyl]-5-fluoropyridin-2-imine (CID 142489736) is 1-[(2R)-1,2-dimethylpyrrolidine-2-carboximidoyl]-5-fluoropyridin-2-imine.
What is the SMILES notation for 1-[(2R)-1,2-dimethylpyrrolidine-2-carboximidoyl]-5-fluoropyridin-2-imine?
The canonical SMILES for 1-[(2R)-1,2-dimethylpyrrolidine-2-carboximidoyl]-5-fluoropyridin-2-imine is [H]/N=C(/n1cc(F)cc/c1=N\[H])[C@@]1(C)CCCN1C.
What is the InChIKey of 1-[(2R)-1,2-dimethylpyrrolidine-2-carboximidoyl]-5-fluoropyridin-2-imine?
The InChIKey is OVVWROSUGIGVIF-PUXAWGQOSA-N. The full InChI is InChI=1S/C12H17FN4/c1-12(6-3-7-16(12)2)11(15)17-8-9(13)4-5-10(17)14/h4-5,8,14-15H,3,6-7H2,1-2H3/b14-10+,15-11+/t12-/m1/s1.
What are the key properties of 1-[(2R)-1,2-dimethylpyrrolidine-2-carboximidoyl]-5-fluoropyridin-2-imine?
1-[(2R)-1,2-dimethylpyrrolidine-2-carboximidoyl]-5-fluoropyridin-2-imine has a molecular weight of 236.29 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1,2-dimethylpyrrolidine-2-carboximidoyl]-5-fluoropyridin-2-imine is sourced from PubChem (CID 142489736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).