5-fluoro-2-imino-N-methyl-N-propylpyridine-1-carboximidamide

C10H15FN4 — CID 123619854

IUPAC5-fluoro-2-imino-N-methyl-N-propylpyridine-1-carboximidamide
SMILES[H]/N=C(\N(C)CCC)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C10H15FN4/c1-3-6-14(2)10(13)15-7-8(11)4-5-9(15)12/h4-5,7,12-13H,3,6H2,1-2H3/b12-9+,13-10+
InChIKeyORSTZOKDCBJTBV-JOWSBRCASA-N
MW210.26 g/mol
LogP1.23
Rot. Bonds2

About 5-fluoro-2-imino-N-methyl-N-propylpyridine-1-carboximidamide

5-fluoro-2-imino-N-methyl-N-propylpyridine-1-carboximidamide (PubChem CID 123619854) has the molecular formula C10H15FN4 and a molecular weight of 210.26 g/mol. Its IUPAC name is 5-fluoro-2-imino-N-methyl-N-propylpyridine-1-carboximidamide.

Molecular Properties

Compound Name5-fluoro-2-imino-N-methyl-N-propylpyridine-1-carboximidamide
PubChem CID123619854
Molecular FormulaC10H15FN4
Molecular Weight210.26 g/mol
Exact Mass210.13
IUPAC Name5-fluoro-2-imino-N-methyl-N-propylpyridine-1-carboximidamide
SMILES[H]/N=C(\N(C)CCC)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C10H15FN4/c1-3-6-14(2)10(13)15-7-8(11)4-5-9(15)12/h4-5,7,12-13H,3,6H2,1-2H3/b12-9+,13-10+
InChIKeyORSTZOKDCBJTBV-JOWSBRCASA-N
XLogP1.23
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.23
H-Bond Donors ≤ 52
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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Related Compounds

1-(C,N-dimethylcarbonimidoyl)-5-fluoropyridin-2-imine
CID 89441546
5-Fluoro-1-(pyrrolidine-1-carboximidoyl)pyridin-2-imine
CID 89624819
5-Fluoro-1-(4-methyl-1,4-diazepane-1-carboximidoyl)pyridin-2-imine
CID 89624863
5-Fluoro-1-(4-methylpiperazine-1-carboximidoyl)pyridin-2-imine
CID 89624970
5-Fluoro-1-(2-methylpropanimidoyl)pyridin-2-imine
CID 90907075
5-Fluoro-1-(2-methylpyrrolidine-1-carboximidoyl)pyridin-2-imine
CID 123569173
5-Fluoro-1-(piperidine-1-carboximidoyl)pyridin-2-imine
CID 123569653
1-Ethanimidoyl-5-fluoropyridin-2-imine
CID 123588695
5-fluoro-2-imino-N'-methylpyridine-1-carboximidamide
CID 123588784
5-fluoro-2-imino-N,N-di(propan-2-yl)pyridine-1-carboximidamide
CID 123830971
1-(5-fluoro-2-imino-1-pyridinyl)-N,N-dimethylmethanamine
CID 123992421
2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine
CID 129302384

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-imino-N-methyl-N-propylpyridine-1-carboximidamide?
The IUPAC name of 5-fluoro-2-imino-N-methyl-N-propylpyridine-1-carboximidamide (CID 123619854) is 5-fluoro-2-imino-N-methyl-N-propylpyridine-1-carboximidamide.
What is the SMILES notation for 5-fluoro-2-imino-N-methyl-N-propylpyridine-1-carboximidamide?
The canonical SMILES for 5-fluoro-2-imino-N-methyl-N-propylpyridine-1-carboximidamide is [H]/N=C(\N(C)CCC)n1cc(F)cc/c1=N\[H].
What is the InChIKey of 5-fluoro-2-imino-N-methyl-N-propylpyridine-1-carboximidamide?
The InChIKey is ORSTZOKDCBJTBV-JOWSBRCASA-N. The full InChI is InChI=1S/C10H15FN4/c1-3-6-14(2)10(13)15-7-8(11)4-5-9(15)12/h4-5,7,12-13H,3,6H2,1-2H3/b12-9+,13-10+.
What are the key properties of 5-fluoro-2-imino-N-methyl-N-propylpyridine-1-carboximidamide?
5-fluoro-2-imino-N-methyl-N-propylpyridine-1-carboximidamide has a molecular weight of 210.26 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-imino-N-methyl-N-propylpyridine-1-carboximidamide is sourced from PubChem (CID 123619854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).