N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridin-2-amine

C14H13F2N3O — CID 3590932

IUPACN-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridin-2-amine
SMILESCC(=NNc1ccccn1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H13F2N3O/c1-10(18-19-13-4-2-3-9-17-13)11-5-7-12(8-6-11)20-14(15)16/h2-9,14H,1H3,(H,17,19)
InChIKeyLEGCXQSOMUEEJW-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.52
Rot. Bonds5

About N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridin-2-amine

N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridin-2-amine (PubChem CID 3590932) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridin-2-amine
PubChem CID3590932
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC NameN-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridin-2-amine
SMILESCC(=NNc1ccccn1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H13F2N3O/c1-10(18-19-13-4-2-3-9-17-13)11-5-7-12(8-6-11)20-14(15)16/h2-9,14H,1H3,(H,17,19)
InChIKeyLEGCXQSOMUEEJW-UHFFFAOYSA-N
XLogP3.52
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridin-2-amine?
The IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridin-2-amine (CID 3590932) is N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridin-2-amine?
The canonical SMILES for N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridin-2-amine is CC(=NNc1ccccn1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridin-2-amine?
The InChIKey is LEGCXQSOMUEEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c1-10(18-19-13-4-2-3-9-17-13)11-5-7-12(8-6-11)20-14(15)16/h2-9,14H,1H3,(H,17,19).
What are the key properties of N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridin-2-amine?
N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridin-2-amine has a molecular weight of 277.27 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridin-2-amine is sourced from PubChem (CID 3590932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).