N-[(Z)-1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine

C13H12FN3 — CID 6145584

IUPACN-[(Z)-1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine
SMILESC/C(=N/Nc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C13H12FN3/c1-10(11-5-7-12(14)8-6-11)16-17-13-4-2-3-9-15-13/h2-9H,1H3,(H,15,17)/b16-10-
InChIKeyKGAQRUQIWZQLNP-YBEGLDIGSA-N
MW229.26 g/mol
LogP3.06
Rot. Bonds3

About N-[(Z)-1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine

N-[(Z)-1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine (PubChem CID 6145584) has the molecular formula C13H12FN3 and a molecular weight of 229.26 g/mol. Its IUPAC name is N-[(Z)-1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine
PubChem CID6145584
Molecular FormulaC13H12FN3
Molecular Weight229.26 g/mol
Exact Mass229.10
IUPAC NameN-[(Z)-1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine
SMILESC/C(=N/Nc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C13H12FN3/c1-10(11-5-7-12(14)8-6-11)16-17-13-4-2-3-9-15-13/h2-9H,1H3,(H,15,17)/b16-10-
InChIKeyKGAQRUQIWZQLNP-YBEGLDIGSA-N
XLogP3.06
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 53.06
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-[(Z)-1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine?
The IUPAC name of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine (CID 6145584) is N-[(Z)-1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine is C/C(=N/Nc1ccccn1)c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine?
The InChIKey is KGAQRUQIWZQLNP-YBEGLDIGSA-N. The full InChI is InChI=1S/C13H12FN3/c1-10(11-5-7-12(14)8-6-11)16-17-13-4-2-3-9-15-13/h2-9H,1H3,(H,15,17)/b16-10-.
What are the key properties of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine?
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine has a molecular weight of 229.26 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine is sourced from PubChem (CID 6145584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).