N-[3,5-bis(trifluoromethyl)phenyl]-6-chloropyridazine-3-carboxamide

C13H6ClF6N3O — CID 10666814

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-6-chloropyridazine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)nn1
InChIInChI=1S/C13H6ClF6N3O/c14-10-2-1-9(22-23-10)11(24)21-8-4-6(12(15,16)17)3-7(5-8)13(18,19)20/h1-5H,(H,21,24)
InChIKeyKTVJBKNOZYURGN-UHFFFAOYSA-N
MW369.65 g/mol
LogP4.42
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-6-chloropyridazine-3-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-6-chloropyridazine-3-carboxamide (PubChem CID 10666814) has the molecular formula C13H6ClF6N3O and a molecular weight of 369.65 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-6-chloropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-6-chloropyridazine-3-carboxamide
PubChem CID10666814
Molecular FormulaC13H6ClF6N3O
Molecular Weight369.65 g/mol
Exact Mass369.01
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-6-chloropyridazine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)nn1
InChIInChI=1S/C13H6ClF6N3O/c14-10-2-1-9(22-23-10)11(24)21-8-4-6(12(15,16)17)3-7(5-8)13(18,19)20/h1-5H,(H,21,24)
InChIKeyKTVJBKNOZYURGN-UHFFFAOYSA-N
XLogP4.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-6-chloropyridazine-3-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-6-chloropyridazine-3-carboxamide (CID 10666814) is N-[3,5-bis(trifluoromethyl)phenyl]-6-chloropyridazine-3-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-6-chloropyridazine-3-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-6-chloropyridazine-3-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)nn1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-6-chloropyridazine-3-carboxamide?
The InChIKey is KTVJBKNOZYURGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF6N3O/c14-10-2-1-9(22-23-10)11(24)21-8-4-6(12(15,16)17)3-7(5-8)13(18,19)20/h1-5H,(H,21,24).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-6-chloropyridazine-3-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-6-chloropyridazine-3-carboxamide has a molecular weight of 369.65 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-6-chloropyridazine-3-carboxamide is sourced from PubChem (CID 10666814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).