N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-2,3,5,6-tetrafluoropyridin-4-amine

C15H7ClF4N4O — CID 133372743

IUPACN-[4-(6-chloropyridazin-3-yl)oxyphenyl]-2,3,5,6-tetrafluoropyridin-4-amine
SMILESFc1nc(F)c(F)c(Nc2ccc(Oc3ccc(Cl)nn3)cc2)c1F
InChIInChI=1S/C15H7ClF4N4O/c16-9-5-6-10(24-23-9)25-8-3-1-7(2-4-8)21-13-11(17)14(19)22-15(20)12(13)18/h1-6H,(H,21,22)
InChIKeyWVEMQGRFVWSDQM-UHFFFAOYSA-N
MW370.69 g/mol
LogP4.62
Rot. Bonds4

About N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-2,3,5,6-tetrafluoropyridin-4-amine

N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-2,3,5,6-tetrafluoropyridin-4-amine (PubChem CID 133372743) has the molecular formula C15H7ClF4N4O and a molecular weight of 370.69 g/mol. Its IUPAC name is N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-2,3,5,6-tetrafluoropyridin-4-amine.

Molecular Properties

Compound NameN-[4-(6-chloropyridazin-3-yl)oxyphenyl]-2,3,5,6-tetrafluoropyridin-4-amine
PubChem CID133372743
Molecular FormulaC15H7ClF4N4O
Molecular Weight370.69 g/mol
Exact Mass370.02
IUPAC NameN-[4-(6-chloropyridazin-3-yl)oxyphenyl]-2,3,5,6-tetrafluoropyridin-4-amine
SMILESFc1nc(F)c(F)c(Nc2ccc(Oc3ccc(Cl)nn3)cc2)c1F
InChIInChI=1S/C15H7ClF4N4O/c16-9-5-6-10(24-23-9)25-8-3-1-7(2-4-8)21-13-11(17)14(19)22-15(20)12(13)18/h1-6H,(H,21,22)
InChIKeyWVEMQGRFVWSDQM-UHFFFAOYSA-N
XLogP4.62
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.69
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide
CID 13050847
3-chloro-6-phenoxypyridazine;3,6-dichloropyridazine
CID 87882017
methyl N-[4-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]phenyl]carbamate
CID 133371506
3-chloro-6-[4-(2,2-dichloroethenyl)phenoxy]pyridazine
CID 134116481
3-chloro-6-(4-propoxyphenoxy)pyridazine
CID 60674904
1-[[4-(6-chloropyridazin-3-yl)oxyphenyl]methyl]-2-phenylhydrazine
CID 169386146
2,3,5,6-tetrafluoro-N-(3-pyridin-4-yloxyphenyl)pyridin-4-amine
CID 133372663
3-chloro-6-[4-chloro-3-(trifluoromethyl)phenoxy]pyridazine
CID 154125386
1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-(2-phenylbutan-2-yl)urea
CID 86947737
3-(3-bromo-4-methoxyphenoxy)-6-chloropyridazine
CID 87574590
3-chloro-6-(3-methoxyphenoxy)pyridazine
CID 13321729
(E)-3-(4-chlorophenyl)-3-[4-(6-chloropyridazin-3-yl)oxyphenyl]prop-2-enal
CID 168875532

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-2,3,5,6-tetrafluoropyridin-4-amine?
The IUPAC name of N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-2,3,5,6-tetrafluoropyridin-4-amine (CID 133372743) is N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-2,3,5,6-tetrafluoropyridin-4-amine.
What is the SMILES notation for N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-2,3,5,6-tetrafluoropyridin-4-amine?
The canonical SMILES for N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-2,3,5,6-tetrafluoropyridin-4-amine is Fc1nc(F)c(F)c(Nc2ccc(Oc3ccc(Cl)nn3)cc2)c1F.
What is the InChIKey of N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-2,3,5,6-tetrafluoropyridin-4-amine?
The InChIKey is WVEMQGRFVWSDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF4N4O/c16-9-5-6-10(24-23-9)25-8-3-1-7(2-4-8)21-13-11(17)14(19)22-15(20)12(13)18/h1-6H,(H,21,22).
What are the key properties of N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-2,3,5,6-tetrafluoropyridin-4-amine?
N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-2,3,5,6-tetrafluoropyridin-4-amine has a molecular weight of 370.69 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-2,3,5,6-tetrafluoropyridin-4-amine is sourced from PubChem (CID 133372743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).