1-(5-fluoro-2-pyridinyl)-N-methylethane-1,2-diimine

C8H8FN3 — CID 123180526

IUPAC1-(5-fluoro-2-pyridinyl)-N-methylethane-1,2-diimine
SMILES[H]/N=C/C(=N\C)c1ccc(F)cn1
InChIInChI=1S/C8H8FN3/c1-11-8(4-10)7-3-2-6(9)5-12-7/h2-5,10H,1H3/b10-4+,11-8+
InChIKeyLCXHSXSAUSERDK-HZLOGALDSA-N
MW165.17 g/mol
LogP1.29
Rot. Bonds2

About 1-(5-fluoro-2-pyridinyl)-N-methylethane-1,2-diimine

1-(5-fluoro-2-pyridinyl)-N-methylethane-1,2-diimine (PubChem CID 123180526) has the molecular formula C8H8FN3 and a molecular weight of 165.17 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-methylethane-1,2-diimine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-methylethane-1,2-diimine
PubChem CID123180526
Molecular FormulaC8H8FN3
Molecular Weight165.17 g/mol
Exact Mass165.07
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-methylethane-1,2-diimine
SMILES[H]/N=C/C(=N\C)c1ccc(F)cn1
InChIInChI=1S/C8H8FN3/c1-11-8(4-10)7-3-2-6(9)5-12-7/h2-5,10H,1H3/b10-4+,11-8+
InChIKeyLCXHSXSAUSERDK-HZLOGALDSA-N
XLogP1.29
TPSA49.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-fluoro-2-pyridinyl)-N-hydroxymethanimidamide
CID 118426677
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CID 58180918
5-(18F)fluoropyridine-2-carboxamide
CID 11607925
1-(5-fluoro-2-pyridinyl)but-3-en-1-one
CID 70650260
2-(1-ethoxyethenyl)-5-fluoropyridine
CID 90409536
1-(5-fluoro-2-pyridinyl)-2,4,4-trimethylpentane-1,3-dione
CID 112583432
ethyl 5-fluoropyridine-2-carboxylate
CID 10986675
(5-fluoro-2-pyridinyl)-(3-methylthiophen-2-yl)methanone
CID 79992482
4-bromo-2-(5-fluoropyridine-2-carboximidoyl)aniline
CID 143325557
1-[5-(5-fluoro-2-pyridinyl)-2-pyridinyl]ethanone
CID 59162014
(3,5-difluorophenyl)-(5-fluoro-2-pyridinyl)methanone
CID 79723476

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-methylethane-1,2-diimine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-methylethane-1,2-diimine (CID 123180526) is 1-(5-fluoro-2-pyridinyl)-N-methylethane-1,2-diimine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-methylethane-1,2-diimine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-methylethane-1,2-diimine is [H]/N=C/C(=N\C)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-methylethane-1,2-diimine?
The InChIKey is LCXHSXSAUSERDK-HZLOGALDSA-N. The full InChI is InChI=1S/C8H8FN3/c1-11-8(4-10)7-3-2-6(9)5-12-7/h2-5,10H,1H3/b10-4+,11-8+.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-methylethane-1,2-diimine?
1-(5-fluoro-2-pyridinyl)-N-methylethane-1,2-diimine has a molecular weight of 165.17 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N-methylethane-1,2-diimine is sourced from PubChem (CID 123180526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).