N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyridazine-3-carboxamide

C13H9ClF3N3O — CID 110705369

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyridazine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nn1
InChIInChI=1S/C13H9ClF3N3O/c1-7-2-4-11(20-19-7)12(21)18-10-5-3-8(14)6-9(10)13(15,16)17/h2-6H,1H3,(H,18,21)
InChIKeyZLDDPMKDWZODAQ-UHFFFAOYSA-N
MW315.68 g/mol
LogP3.71
Rot. Bonds2

About N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyridazine-3-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyridazine-3-carboxamide (PubChem CID 110705369) has the molecular formula C13H9ClF3N3O and a molecular weight of 315.68 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyridazine-3-carboxamide
PubChem CID110705369
Molecular FormulaC13H9ClF3N3O
Molecular Weight315.68 g/mol
Exact Mass315.04
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyridazine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nn1
InChIInChI=1S/C13H9ClF3N3O/c1-7-2-4-11(20-19-7)12(21)18-10-5-3-8(14)6-9(10)13(15,16)17/h2-6H,1H3,(H,18,21)
InChIKeyZLDDPMKDWZODAQ-UHFFFAOYSA-N
XLogP3.71
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109574
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 836769
5-(tert-butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109195266
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179811
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110692014
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide
CID 110863795
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-2-carboxamide
CID 109194819
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512311
N-[4-chloro-2-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-3-carboxamide
CID 17172977
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384949

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyridazine-3-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyridazine-3-carboxamide (CID 110705369) is N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyridazine-3-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyridazine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nn1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyridazine-3-carboxamide?
The InChIKey is ZLDDPMKDWZODAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N3O/c1-7-2-4-11(20-19-7)12(21)18-10-5-3-8(14)6-9(10)13(15,16)17/h2-6H,1H3,(H,18,21).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyridazine-3-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyridazine-3-carboxamide has a molecular weight of 315.68 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyridazine-3-carboxamide is sourced from PubChem (CID 110705369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).