1-(C,N-dimethylcarbonimidoyl)-5-fluoropyridin-2-imine

C8H10FN3 — CID 89441546

IUPAC1-(C,N-dimethylcarbonimidoyl)-5-fluoropyridin-2-imine
SMILES[H]/N=c1\ccc(F)cn1/C(C)=N/C
InChIInChI=1S/C8H10FN3/c1-6(11-2)12-5-7(9)3-4-8(12)10/h3-5,10H,1-2H3/b10-8+,11-6+
InChIKeyTVSVHHIGDACKHJ-UGHCYFJLSA-N
MW167.19 g/mol
LogP1.00
Rot. Bonds

About 1-(C,N-dimethylcarbonimidoyl)-5-fluoropyridin-2-imine

1-(C,N-dimethylcarbonimidoyl)-5-fluoropyridin-2-imine (PubChem CID 89441546) has the molecular formula C8H10FN3 and a molecular weight of 167.19 g/mol. Its IUPAC name is 1-(C,N-dimethylcarbonimidoyl)-5-fluoropyridin-2-imine.

Molecular Properties

Compound Name1-(C,N-dimethylcarbonimidoyl)-5-fluoropyridin-2-imine
PubChem CID89441546
Molecular FormulaC8H10FN3
Molecular Weight167.19 g/mol
Exact Mass167.09
IUPAC Name1-(C,N-dimethylcarbonimidoyl)-5-fluoropyridin-2-imine
SMILES[H]/N=c1\ccc(F)cn1/C(C)=N/C
InChIInChI=1S/C8H10FN3/c1-6(11-2)12-5-7(9)3-4-8(12)10/h3-5,10H,1-2H3/b10-8+,11-6+
InChIKeyTVSVHHIGDACKHJ-UGHCYFJLSA-N
XLogP1.00
TPSA41.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(C,N-dimethylcarbonimidoyl)-5-fluoropyridin-2-imine?
The IUPAC name of 1-(C,N-dimethylcarbonimidoyl)-5-fluoropyridin-2-imine (CID 89441546) is 1-(C,N-dimethylcarbonimidoyl)-5-fluoropyridin-2-imine.
What is the SMILES notation for 1-(C,N-dimethylcarbonimidoyl)-5-fluoropyridin-2-imine?
The canonical SMILES for 1-(C,N-dimethylcarbonimidoyl)-5-fluoropyridin-2-imine is [H]/N=c1\ccc(F)cn1/C(C)=N/C.
What is the InChIKey of 1-(C,N-dimethylcarbonimidoyl)-5-fluoropyridin-2-imine?
The InChIKey is TVSVHHIGDACKHJ-UGHCYFJLSA-N. The full InChI is InChI=1S/C8H10FN3/c1-6(11-2)12-5-7(9)3-4-8(12)10/h3-5,10H,1-2H3/b10-8+,11-6+.
What are the key properties of 1-(C,N-dimethylcarbonimidoyl)-5-fluoropyridin-2-imine?
1-(C,N-dimethylcarbonimidoyl)-5-fluoropyridin-2-imine has a molecular weight of 167.19 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(C,N-dimethylcarbonimidoyl)-5-fluoropyridin-2-imine is sourced from PubChem (CID 89441546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).