3,4-dichloro-N-ethylpyridine-2-carboxamide

C8H8Cl2N2O — CID 123182063

IUPAC3,4-dichloro-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1nccc(Cl)c1Cl
InChIInChI=1S/C8H8Cl2N2O/c1-2-11-8(13)7-6(10)5(9)3-4-12-7/h3-4H,2H2,1H3,(H,11,13)
InChIKeyHCGMIODHELNLHH-UHFFFAOYSA-N
MW219.07 g/mol
LogP2.14
Rot. Bonds2

About 3,4-dichloro-N-ethylpyridine-2-carboxamide

3,4-dichloro-N-ethylpyridine-2-carboxamide (PubChem CID 123182063) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.07 g/mol. Its IUPAC name is 3,4-dichloro-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-N-ethylpyridine-2-carboxamide
PubChem CID123182063
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.07 g/mol
Exact Mass218.00
IUPAC Name3,4-dichloro-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1nccc(Cl)c1Cl
InChIInChI=1S/C8H8Cl2N2O/c1-2-11-8(13)7-6(10)5(9)3-4-12-7/h3-4H,2H2,1H3,(H,11,13)
InChIKeyHCGMIODHELNLHH-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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-ethylpyridine-2-carboxamide?
The IUPAC name of 3,4-dichloro-N-ethylpyridine-2-carboxamide (CID 123182063) is 3,4-dichloro-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 3,4-dichloro-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 3,4-dichloro-N-ethylpyridine-2-carboxamide is CCNC(=O)c1nccc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-N-ethylpyridine-2-carboxamide?
The InChIKey is HCGMIODHELNLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O/c1-2-11-8(13)7-6(10)5(9)3-4-12-7/h3-4H,2H2,1H3,(H,11,13).
What are the key properties of 3,4-dichloro-N-ethylpyridine-2-carboxamide?
3,4-dichloro-N-ethylpyridine-2-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 3,4-dichloro-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 123182063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).