N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine

C12H10FN3 — CID 5339861

IUPACN-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine
SMILESFc1ccccc1/C=N/Nc1ccccn1
InChIInChI=1S/C12H10FN3/c13-11-6-2-1-5-10(11)9-15-16-12-7-3-4-8-14-12/h1-9H,(H,14,16)/b15-9+
InChIKeyMUHHHHRXKKYUAI-OQLLNIDSSA-N
MW215.23 g/mol
LogP2.67
Rot. Bonds3

About N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine

N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine (PubChem CID 5339861) has the molecular formula C12H10FN3 and a molecular weight of 215.23 g/mol. Its IUPAC name is N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine
PubChem CID5339861
Molecular FormulaC12H10FN3
Molecular Weight215.23 g/mol
Exact Mass215.09
IUPAC NameN-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine
SMILESFc1ccccc1/C=N/Nc1ccccn1
InChIInChI=1S/C12H10FN3/c13-11-6-2-1-5-10(11)9-15-16-12-7-3-4-8-14-12/h1-9H,(H,14,16)/b15-9+
InChIKeyMUHHHHRXKKYUAI-OQLLNIDSSA-N
XLogP2.67
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine?
The IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine (CID 5339861) is N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine is Fc1ccccc1/C=N/Nc1ccccn1.
What is the InChIKey of N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine?
The InChIKey is MUHHHHRXKKYUAI-OQLLNIDSSA-N. The full InChI is InChI=1S/C12H10FN3/c13-11-6-2-1-5-10(11)9-15-16-12-7-3-4-8-14-12/h1-9H,(H,14,16)/b15-9+.
What are the key properties of N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine?
N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine has a molecular weight of 215.23 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-fluorophenyl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 5339861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).