N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

C14H10F5N3O — CID 6183364

IUPACN-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)Oc1ccc(/C=N\Nc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C14H10F5N3O/c15-13(16)23-11-4-1-9(2-5-11)7-21-22-12-6-3-10(8-20-12)14(17,18)19/h1-8,13H,(H,20,22)/b21-7-
InChIKeyUGJBPPBZDRMWHG-YXSASFKJSA-N
MW331.24 g/mol
LogP4.15
Rot. Bonds5

About N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 6183364) has the molecular formula C14H10F5N3O and a molecular weight of 331.24 g/mol. Its IUPAC name is N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID6183364
Molecular FormulaC14H10F5N3O
Molecular Weight331.24 g/mol
Exact Mass331.07
IUPAC NameN-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)Oc1ccc(/C=N\Nc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C14H10F5N3O/c15-13(16)23-11-4-1-9(2-5-11)7-21-22-12-6-3-10(8-20-12)14(17,18)19/h1-8,13H,(H,20,22)/b21-7-
InChIKeyUGJBPPBZDRMWHG-YXSASFKJSA-N
XLogP4.15
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.15
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-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (CID 6183364) is N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is FC(F)Oc1ccc(/C=N\Nc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is UGJBPPBZDRMWHG-YXSASFKJSA-N. The full InChI is InChI=1S/C14H10F5N3O/c15-13(16)23-11-4-1-9(2-5-11)7-21-22-12-6-3-10(8-20-12)14(17,18)19/h1-8,13H,(H,20,22)/b21-7-.
What are the key properties of N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 331.24 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 6183364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).