6-chloro-N-(4,6-dimethyl-2-pyridinyl)-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide

C13H9ClF10N2O — CID 4613266

IUPAC6-chloro-N-(4,6-dimethyl-2-pyridinyl)-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide
SMILESCc1cc(C)nc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)c1
InChIInChI=1S/C13H9ClF10N2O/c1-5-3-6(2)25-7(4-5)26-8(27)9(15,16)10(17,18)11(19,20)12(21,22)13(14,23)24/h3-4H,1-2H3,(H,25,26,27)
InChIKeyCETODVJASBZMHF-UHFFFAOYSA-N
MW434.66 g/mol
LogP5.01
Rot. Bonds6

About 6-chloro-N-(4,6-dimethyl-2-pyridinyl)-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide

6-chloro-N-(4,6-dimethyl-2-pyridinyl)-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide (PubChem CID 4613266) has the molecular formula C13H9ClF10N2O and a molecular weight of 434.66 g/mol. Its IUPAC name is 6-chloro-N-(4,6-dimethyl-2-pyridinyl)-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide.

Molecular Properties

Compound Name6-chloro-N-(4,6-dimethyl-2-pyridinyl)-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide
PubChem CID4613266
Molecular FormulaC13H9ClF10N2O
Molecular Weight434.66 g/mol
Exact Mass434.02
IUPAC Name6-chloro-N-(4,6-dimethyl-2-pyridinyl)-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide
SMILESCc1cc(C)nc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)c1
InChIInChI=1S/C13H9ClF10N2O/c1-5-3-6(2)25-7(4-5)26-8(27)9(15,16)10(17,18)11(19,20)12(21,22)13(14,23)24/h3-4H,1-2H3,(H,25,26,27)
InChIKeyCETODVJASBZMHF-UHFFFAOYSA-N
XLogP5.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.66
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 6-chloro-N-(4,6-dimethyl-2-pyridinyl)-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-chloro-N-(3,5-dimethylphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 4107079
8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(5-methyl-2-pyridinyl)octanamide
CID 4102650
2-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-2-ethylbutanamide
CID 114932033
2-chloro-N-(4,6-dimethyl-2-pyridinyl)acetamide
CID 4199160
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]nonanamide
CID 4183627
N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide
CID 170315379
N-(4-acetylphenyl)-9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 3667444
N-(4,6-dichloro-2-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide
CID 170315457
N-(6-chloro-4-methyl-2-pyridinyl)-2,2-dimethylpropanamide
CID 59165851
N-(4,6-dimethyl-2-pyridinyl)-3,4,5-trifluorobenzamide
CID 115750579
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-fluorophenyl)nonanamide
CID 4178133
N-(4,6-dimethyl-2-pyridinyl)-2-hydroxybenzamide
CID 13440640

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,6-dimethyl-2-pyridinyl)-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide?
The IUPAC name of 6-chloro-N-(4,6-dimethyl-2-pyridinyl)-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide (CID 4613266) is 6-chloro-N-(4,6-dimethyl-2-pyridinyl)-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide.
What is the SMILES notation for 6-chloro-N-(4,6-dimethyl-2-pyridinyl)-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide?
The canonical SMILES for 6-chloro-N-(4,6-dimethyl-2-pyridinyl)-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide is Cc1cc(C)nc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)c1.
What is the InChIKey of 6-chloro-N-(4,6-dimethyl-2-pyridinyl)-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide?
The InChIKey is CETODVJASBZMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF10N2O/c1-5-3-6(2)25-7(4-5)26-8(27)9(15,16)10(17,18)11(19,20)12(21,22)13(14,23)24/h3-4H,1-2H3,(H,25,26,27).
What are the key properties of 6-chloro-N-(4,6-dimethyl-2-pyridinyl)-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide?
6-chloro-N-(4,6-dimethyl-2-pyridinyl)-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide has a molecular weight of 434.66 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,6-dimethyl-2-pyridinyl)-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide is sourced from PubChem (CID 4613266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).