3,6-dichloro-N-prop-2-enylpyridine-2-carboxamide

C9H8Cl2N2O — CID 26643522

IUPAC3,6-dichloro-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C9H8Cl2N2O/c1-2-5-12-9(14)8-6(10)3-4-7(11)13-8/h2-4H,1,5H2,(H,12,14)
InChIKeyUJMPSTYTLQLRSW-UHFFFAOYSA-N
MW231.08 g/mol
LogP2.30
Rot. Bonds3

About 3,6-dichloro-N-prop-2-enylpyridine-2-carboxamide

3,6-dichloro-N-prop-2-enylpyridine-2-carboxamide (PubChem CID 26643522) has the molecular formula C9H8Cl2N2O and a molecular weight of 231.08 g/mol. Its IUPAC name is 3,6-dichloro-N-prop-2-enylpyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-prop-2-enylpyridine-2-carboxamide
PubChem CID26643522
Molecular FormulaC9H8Cl2N2O
Molecular Weight231.08 g/mol
Exact Mass230.00
IUPAC Name3,6-dichloro-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C9H8Cl2N2O/c1-2-5-12-9(14)8-6(10)3-4-7(11)13-8/h2-4H,1,5H2,(H,12,14)
InChIKeyUJMPSTYTLQLRSW-UHFFFAOYSA-N
XLogP2.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloropyridine-2-carbohydrazide
CID 45278328
3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60692450
2,6-dichloro-N-prop-2-enylpyridine-4-carboxamide
CID 9399521
3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide
CID 60693634
3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide
CID 115619986
3,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
CID 65107170
3,6-dichloro-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide
CID 65107168
3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 47215448
4-[[(3,6-dichloropyridine-2-carbonyl)amino]methyl]benzoic acid
CID 103602653
6-N-(3,4-dichlorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094177
3,6-dichloro-N-hex-5-ynylpyridine-2-carboxamide
CID 103758152
3,6-dichloro-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide
CID 47285902

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-prop-2-enylpyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-prop-2-enylpyridine-2-carboxamide (CID 26643522) is 3,6-dichloro-N-prop-2-enylpyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-prop-2-enylpyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-prop-2-enylpyridine-2-carboxamide is C=CCNC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-prop-2-enylpyridine-2-carboxamide?
The InChIKey is UJMPSTYTLQLRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O/c1-2-5-12-9(14)8-6(10)3-4-7(11)13-8/h2-4H,1,5H2,(H,12,14).
What are the key properties of 3,6-dichloro-N-prop-2-enylpyridine-2-carboxamide?
3,6-dichloro-N-prop-2-enylpyridine-2-carboxamide has a molecular weight of 231.08 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-prop-2-enylpyridine-2-carboxamide is sourced from PubChem (CID 26643522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).