N-(4-fluorophenyl)-3-methanimidoylpyridin-2-amine

C12H10FN3 — CID 145290598

IUPACN-(4-fluorophenyl)-3-methanimidoylpyridin-2-amine
SMILES[H]/N=C/c1cccnc1Nc1ccc(F)cc1
InChIInChI=1S/C12H10FN3/c13-10-3-5-11(6-4-10)16-12-9(8-14)2-1-7-15-12/h1-8,14H,(H,15,16)/b14-8+
InChIKeyXJOBLZCMZJALAA-RIYZIHGNSA-N
MW215.23 g/mol
LogP2.96
Rot. Bonds3

About N-(4-fluorophenyl)-3-methanimidoylpyridin-2-amine

N-(4-fluorophenyl)-3-methanimidoylpyridin-2-amine (PubChem CID 145290598) has the molecular formula C12H10FN3 and a molecular weight of 215.23 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-methanimidoylpyridin-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-methanimidoylpyridin-2-amine
PubChem CID145290598
Molecular FormulaC12H10FN3
Molecular Weight215.23 g/mol
Exact Mass215.09
IUPAC NameN-(4-fluorophenyl)-3-methanimidoylpyridin-2-amine
SMILES[H]/N=C/c1cccnc1Nc1ccc(F)cc1
InChIInChI=1S/C12H10FN3/c13-10-3-5-11(6-4-10)16-12-9(8-14)2-1-7-15-12/h1-8,14H,(H,15,16)/b14-8+
InChIKeyXJOBLZCMZJALAA-RIYZIHGNSA-N
XLogP2.96
TPSA48.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 52.96
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 N-(4-fluorophenyl)-3-methanimidoylpyridin-2-amine?
The IUPAC name of N-(4-fluorophenyl)-3-methanimidoylpyridin-2-amine (CID 145290598) is N-(4-fluorophenyl)-3-methanimidoylpyridin-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-3-methanimidoylpyridin-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-3-methanimidoylpyridin-2-amine is [H]/N=C/c1cccnc1Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-methanimidoylpyridin-2-amine?
The InChIKey is XJOBLZCMZJALAA-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H10FN3/c13-10-3-5-11(6-4-10)16-12-9(8-14)2-1-7-15-12/h1-8,14H,(H,15,16)/b14-8+.
What are the key properties of N-(4-fluorophenyl)-3-methanimidoylpyridin-2-amine?
N-(4-fluorophenyl)-3-methanimidoylpyridin-2-amine has a molecular weight of 215.23 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-methanimidoylpyridin-2-amine is sourced from PubChem (CID 145290598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).