3,6-dichloro-N-(2,5-dimethylphenyl)pyridine-2-carboxamide

C14H12Cl2N2O — CID 2567483

IUPAC3,6-dichloro-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2nc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H12Cl2N2O/c1-8-3-4-9(2)11(7-8)17-14(19)13-10(15)5-6-12(16)18-13/h3-7H,1-2H3,(H,17,19)
InChIKeyLLWUSCAUIJRFDE-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.26
Rot. Bonds2

About 3,6-dichloro-N-(2,5-dimethylphenyl)pyridine-2-carboxamide

3,6-dichloro-N-(2,5-dimethylphenyl)pyridine-2-carboxamide (PubChem CID 2567483) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 3,6-dichloro-N-(2,5-dimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
PubChem CID2567483
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name3,6-dichloro-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2nc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H12Cl2N2O/c1-8-3-4-9(2)11(7-8)17-14(19)13-10(15)5-6-12(16)18-13/h3-7H,1-2H3,(H,17,19)
InChIKeyLLWUSCAUIJRFDE-UHFFFAOYSA-N
XLogP4.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.26
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

CID 2576489
CID 2576489
CID 2546339
CID 2546339
CID 2596605
CID 2596605
CID 86576805
CID 86576805
CID 168288022
CID 168288022
CID 24819968
CID 24819968
CID 71087948
CID 71087948
CID 71093504
CID 71093504
CID 71093600
CID 71093600
CID 71105543
CID 71105543
CID 71105595
CID 71105595
CID 71113197
CID 71113197

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2,5-dimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(2,5-dimethylphenyl)pyridine-2-carboxamide (CID 2567483) is 3,6-dichloro-N-(2,5-dimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(2,5-dimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(2,5-dimethylphenyl)pyridine-2-carboxamide is Cc1ccc(C)c(NC(=O)c2nc(Cl)ccc2Cl)c1.
What is the InChIKey of 3,6-dichloro-N-(2,5-dimethylphenyl)pyridine-2-carboxamide?
The InChIKey is LLWUSCAUIJRFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c1-8-3-4-9(2)11(7-8)17-14(19)13-10(15)5-6-12(16)18-13/h3-7H,1-2H3,(H,17,19).
What are the key properties of 3,6-dichloro-N-(2,5-dimethylphenyl)pyridine-2-carboxamide?
3,6-dichloro-N-(2,5-dimethylphenyl)pyridine-2-carboxamide has a molecular weight of 295.17 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2,5-dimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 2567483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).