3-(4-fluorobenzenecarboximidoyl)-6-methylpyridin-2-amine

C13H12FN3 — CID 87797273

IUPAC3-(4-fluorobenzenecarboximidoyl)-6-methylpyridin-2-amine
SMILES[H]/N=C(\c1ccc(F)cc1)c1ccc(C)nc1N
InChIInChI=1S/C13H12FN3/c1-8-2-7-11(13(16)17-8)12(15)9-3-5-10(14)6-4-9/h2-7,15H,1H3,(H2,16,17)/b15-12+
InChIKeyHRRREWDQNRQTJF-NTCAYCPXSA-N
MW229.26 g/mol
LogP2.53
Rot. Bonds2

About 3-(4-fluorobenzenecarboximidoyl)-6-methylpyridin-2-amine

3-(4-fluorobenzenecarboximidoyl)-6-methylpyridin-2-amine (PubChem CID 87797273) has the molecular formula C13H12FN3 and a molecular weight of 229.26 g/mol. Its IUPAC name is 3-(4-fluorobenzenecarboximidoyl)-6-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(4-fluorobenzenecarboximidoyl)-6-methylpyridin-2-amine
PubChem CID87797273
Molecular FormulaC13H12FN3
Molecular Weight229.26 g/mol
Exact Mass229.10
IUPAC Name3-(4-fluorobenzenecarboximidoyl)-6-methylpyridin-2-amine
SMILES[H]/N=C(\c1ccc(F)cc1)c1ccc(C)nc1N
InChIInChI=1S/C13H12FN3/c1-8-2-7-11(13(16)17-8)12(15)9-3-5-10(14)6-4-9/h2-7,15H,1H3,(H2,16,17)/b15-12+
InChIKeyHRRREWDQNRQTJF-NTCAYCPXSA-N
XLogP2.53
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobenzenecarboximidoyl)-6-methylpyridin-2-amine?
The IUPAC name of 3-(4-fluorobenzenecarboximidoyl)-6-methylpyridin-2-amine (CID 87797273) is 3-(4-fluorobenzenecarboximidoyl)-6-methylpyridin-2-amine.
What is the SMILES notation for 3-(4-fluorobenzenecarboximidoyl)-6-methylpyridin-2-amine?
The canonical SMILES for 3-(4-fluorobenzenecarboximidoyl)-6-methylpyridin-2-amine is [H]/N=C(\c1ccc(F)cc1)c1ccc(C)nc1N.
What is the InChIKey of 3-(4-fluorobenzenecarboximidoyl)-6-methylpyridin-2-amine?
The InChIKey is HRRREWDQNRQTJF-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H12FN3/c1-8-2-7-11(13(16)17-8)12(15)9-3-5-10(14)6-4-9/h2-7,15H,1H3,(H2,16,17)/b15-12+.
What are the key properties of 3-(4-fluorobenzenecarboximidoyl)-6-methylpyridin-2-amine?
3-(4-fluorobenzenecarboximidoyl)-6-methylpyridin-2-amine has a molecular weight of 229.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobenzenecarboximidoyl)-6-methylpyridin-2-amine is sourced from PubChem (CID 87797273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).