N-(2-chloro-6-methyl-4-pyridinyl)-2,2,2-trifluoroacetamide

C8H6ClF3N2O — CID 170314603

IUPACN-(2-chloro-6-methyl-4-pyridinyl)-2,2,2-trifluoroacetamide
SMILESCc1cc(NC(=O)C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C8H6ClF3N2O/c1-4-2-5(3-6(9)13-4)14-7(15)8(10,11)12/h2-3H,1H3,(H,13,14,15)
InChIKeyNVRMMJWGNPFDLD-UHFFFAOYSA-N
MW238.60 g/mol
LogP2.54
Rot. Bonds1

About N-(2-chloro-6-methyl-4-pyridinyl)-2,2,2-trifluoroacetamide

N-(2-chloro-6-methyl-4-pyridinyl)-2,2,2-trifluoroacetamide (PubChem CID 170314603) has the molecular formula C8H6ClF3N2O and a molecular weight of 238.60 g/mol. Its IUPAC name is N-(2-chloro-6-methyl-4-pyridinyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-chloro-6-methyl-4-pyridinyl)-2,2,2-trifluoroacetamide
PubChem CID170314603
Molecular FormulaC8H6ClF3N2O
Molecular Weight238.60 g/mol
Exact Mass238.01
IUPAC NameN-(2-chloro-6-methyl-4-pyridinyl)-2,2,2-trifluoroacetamide
SMILESCc1cc(NC(=O)C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C8H6ClF3N2O/c1-4-2-5(3-6(9)13-4)14-7(15)8(10,11)12/h2-3H,1H3,(H,13,14,15)
InChIKeyNVRMMJWGNPFDLD-UHFFFAOYSA-N
XLogP2.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.60
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide
CID 170315379
2,2,2-trifluoro-N-(4-formyl-3,5-dimethylphenyl)acetamide
CID 86632821
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide
CID 885871
N-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide
CID 145284883
N-(2-chloro-6-methyl-4-pyridinyl)-2-[[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]amino]acetamide
CID 159697697
[4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid
CID 18543052
N-(5-bromo-4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide
CID 129147318
2-chloro-6-methyl-4-(trifluoromethoxy)pyridine
CID 130089695
1-[3-chloro-5-(trifluoromethoxy)phenyl]-3-(2,6-dichloro-4-pyridinyl)urea
CID 175721929
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 9185268
2,2,2-trifluoro-N-pyridin-4-ylacetamide
CID 4095205

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methyl-4-pyridinyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-chloro-6-methyl-4-pyridinyl)-2,2,2-trifluoroacetamide (CID 170314603) is N-(2-chloro-6-methyl-4-pyridinyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-chloro-6-methyl-4-pyridinyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-chloro-6-methyl-4-pyridinyl)-2,2,2-trifluoroacetamide is Cc1cc(NC(=O)C(F)(F)F)cc(Cl)n1.
What is the InChIKey of N-(2-chloro-6-methyl-4-pyridinyl)-2,2,2-trifluoroacetamide?
The InChIKey is NVRMMJWGNPFDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O/c1-4-2-5(3-6(9)13-4)14-7(15)8(10,11)12/h2-3H,1H3,(H,13,14,15).
What are the key properties of N-(2-chloro-6-methyl-4-pyridinyl)-2,2,2-trifluoroacetamide?
N-(2-chloro-6-methyl-4-pyridinyl)-2,2,2-trifluoroacetamide has a molecular weight of 238.60 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methyl-4-pyridinyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 170314603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).