2,6-dichloro-N-ethylpyridine-4-carboxamide

C8H8Cl2N2O — CID 3683537

IUPAC2,6-dichloro-N-ethylpyridine-4-carboxamide
SMILESCCNC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C8H8Cl2N2O/c1-2-11-8(13)5-3-6(9)12-7(10)4-5/h3-4H,2H2,1H3,(H,11,13)
InChIKeyHFEQKWQGVRXIRA-UHFFFAOYSA-N
MW219.07 g/mol
LogP2.14
Rot. Bonds2

About 2,6-dichloro-N-ethylpyridine-4-carboxamide

2,6-dichloro-N-ethylpyridine-4-carboxamide (PubChem CID 3683537) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.07 g/mol. Its IUPAC name is 2,6-dichloro-N-ethylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-ethylpyridine-4-carboxamide
PubChem CID3683537
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.07 g/mol
Exact Mass218.00
IUPAC Name2,6-dichloro-N-ethylpyridine-4-carboxamide
SMILESCCNC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C8H8Cl2N2O/c1-2-11-8(13)5-3-6(9)12-7(10)4-5/h3-4H,2H2,1H3,(H,11,13)
InChIKeyHFEQKWQGVRXIRA-UHFFFAOYSA-N
XLogP2.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.14
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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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-ethylpyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-ethylpyridine-4-carboxamide (CID 3683537) is 2,6-dichloro-N-ethylpyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-ethylpyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-ethylpyridine-4-carboxamide is CCNC(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-ethylpyridine-4-carboxamide?
The InChIKey is HFEQKWQGVRXIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O/c1-2-11-8(13)5-3-6(9)12-7(10)4-5/h3-4H,2H2,1H3,(H,11,13).
What are the key properties of 2,6-dichloro-N-ethylpyridine-4-carboxamide?
2,6-dichloro-N-ethylpyridine-4-carboxamide has a molecular weight of 219.07 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-ethylpyridine-4-carboxamide is sourced from PubChem (CID 3683537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).