2,6-dichloro-N-(3-methoxyphenyl)pyridine-4-carboxamide

C13H10Cl2N2O2 — CID 34753478

IUPAC2,6-dichloro-N-(3-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(Cl)nc(Cl)c2)c1
InChIInChI=1S/C13H10Cl2N2O2/c1-19-10-4-2-3-9(7-10)16-13(18)8-5-11(14)17-12(15)6-8/h2-7H,1H3,(H,16,18)
InChIKeyKXNCCTSPINCICJ-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.65
Rot. Bonds3

About 2,6-dichloro-N-(3-methoxyphenyl)pyridine-4-carboxamide

2,6-dichloro-N-(3-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 34753478) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 2,6-dichloro-N-(3-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(3-methoxyphenyl)pyridine-4-carboxamide
PubChem CID34753478
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name2,6-dichloro-N-(3-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(Cl)nc(Cl)c2)c1
InChIInChI=1S/C13H10Cl2N2O2/c1-19-10-4-2-3-9(7-10)16-13(18)8-5-11(14)17-12(15)6-8/h2-7H,1H3,(H,16,18)
InChIKeyKXNCCTSPINCICJ-UHFFFAOYSA-N
XLogP3.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(3-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(3-methoxyphenyl)pyridine-4-carboxamide (CID 34753478) is 2,6-dichloro-N-(3-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(3-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(3-methoxyphenyl)pyridine-4-carboxamide is COc1cccc(NC(=O)c2cc(Cl)nc(Cl)c2)c1.
What is the InChIKey of 2,6-dichloro-N-(3-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is KXNCCTSPINCICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c1-19-10-4-2-3-9(7-10)16-13(18)8-5-11(14)17-12(15)6-8/h2-7H,1H3,(H,16,18).
What are the key properties of 2,6-dichloro-N-(3-methoxyphenyl)pyridine-4-carboxamide?
2,6-dichloro-N-(3-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 297.14 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(3-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 34753478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).