3,4,5-trichloro-N-(3,4-dimethylphenyl)pyridine-2-carboxamide

C14H11Cl3N2O — CID 2546339

IUPAC3,4,5-trichloro-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1C
InChIInChI=1S/C14H11Cl3N2O/c1-7-3-4-9(5-8(7)2)19-14(20)13-12(17)11(16)10(15)6-18-13/h3-6H,1-2H3,(H,19,20)
InChIKeyKIXQVLIQGFGRMN-UHFFFAOYSA-N
MW329.61 g/mol
LogP4.91
Rot. Bonds2

About 3,4,5-trichloro-N-(3,4-dimethylphenyl)pyridine-2-carboxamide

3,4,5-trichloro-N-(3,4-dimethylphenyl)pyridine-2-carboxamide (PubChem CID 2546339) has the molecular formula C14H11Cl3N2O and a molecular weight of 329.61 g/mol. Its IUPAC name is 3,4,5-trichloro-N-(3,4-dimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,4,5-trichloro-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
PubChem CID2546339
Molecular FormulaC14H11Cl3N2O
Molecular Weight329.61 g/mol
Exact Mass327.99
IUPAC Name3,4,5-trichloro-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1C
InChIInChI=1S/C14H11Cl3N2O/c1-7-3-4-9(5-8(7)2)19-14(20)13-12(17)11(16)10(15)6-18-13/h3-6H,1-2H3,(H,19,20)
InChIKeyKIXQVLIQGFGRMN-UHFFFAOYSA-N
XLogP4.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.61
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trichloro-N-(3,4-dimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 3,4,5-trichloro-N-(3,4-dimethylphenyl)pyridine-2-carboxamide (CID 2546339) is 3,4,5-trichloro-N-(3,4-dimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,4,5-trichloro-N-(3,4-dimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3,4,5-trichloro-N-(3,4-dimethylphenyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1C.
What is the InChIKey of 3,4,5-trichloro-N-(3,4-dimethylphenyl)pyridine-2-carboxamide?
The InChIKey is KIXQVLIQGFGRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O/c1-7-3-4-9(5-8(7)2)19-14(20)13-12(17)11(16)10(15)6-18-13/h3-6H,1-2H3,(H,19,20).
What are the key properties of 3,4,5-trichloro-N-(3,4-dimethylphenyl)pyridine-2-carboxamide?
3,4,5-trichloro-N-(3,4-dimethylphenyl)pyridine-2-carboxamide has a molecular weight of 329.61 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trichloro-N-(3,4-dimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 2546339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).