N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide

C10H5ClF3N5O — CID 91649769

IUPACN-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)nn1)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C10H5ClF3N5O/c11-6-1-2-7(19-18-6)17-8(20)5-3-15-9(16-4-5)10(12,13)14/h1-4H,(H,17,19,20)
InChIKeyGFKZAWSHIATSJW-UHFFFAOYSA-N
MW303.63 g/mol
LogP2.19
Rot. Bonds2

About N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide

N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 91649769) has the molecular formula C10H5ClF3N5O and a molecular weight of 303.63 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID91649769
Molecular FormulaC10H5ClF3N5O
Molecular Weight303.63 g/mol
Exact Mass303.01
IUPAC NameN-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)nn1)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C10H5ClF3N5O/c11-6-1-2-7(19-18-6)17-8(20)5-3-15-9(16-4-5)10(12,13)14/h1-4H,(H,17,19,20)
InChIKeyGFKZAWSHIATSJW-UHFFFAOYSA-N
XLogP2.19
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloropyrazin-2-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 86817104
N-(6-chloropyridazin-3-yl)benzamide
CID 13125576
3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide
CID 113230922
2-bromo-N-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)benzamide
CID 115744112
3-chloro-N-(6-chloropyridazin-3-yl)-4-fluorobenzamide
CID 115737291
N-(6-chloropyridazin-3-yl)-3-fluoro-5-methylbenzamide
CID 115666665
4-(4-chlorophenyl)-2-[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]thiophene-3-carboxylic acid
CID 67225295
4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide
CID 115686692
N-(6-chloropyridazin-3-yl)-2,4,6-trifluorobenzamide
CID 113241160
4-butoxy-N-(6-chloropyridazin-3-yl)benzamide
CID 115608608
4-bromo-N-(6-chloropyridazin-3-yl)-3-nitrobenzamide
CID 115608655
N-(6-chloropyridazin-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 115608654

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide (CID 91649769) is N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide is O=C(Nc1ccc(Cl)nn1)c1cnc(C(F)(F)F)nc1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is GFKZAWSHIATSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3N5O/c11-6-1-2-7(19-18-6)17-8(20)5-3-15-9(16-4-5)10(12,13)14/h1-4H,(H,17,19,20).
What are the key properties of N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 303.63 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 91649769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).