2,5-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide

C11H12Cl2N2O2 — CID 114918916

IUPAC2,5-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
SMILESC=CCN(CCO)C(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c1-2-3-15(4-5-16)11(17)8-6-10(13)14-7-9(8)12/h2,6-7,16H,1,3-5H2
InChIKeyJYEDKIZZHFNTMK-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.01
Rot. Bonds5

About 2,5-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide

2,5-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide (PubChem CID 114918916) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
PubChem CID114918916
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Name2,5-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
SMILESC=CCN(CCO)C(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c1-2-3-15(4-5-16)11(17)8-6-10(13)14-7-9(8)12/h2,6-7,16H,1,3-5H2
InChIKeyJYEDKIZZHFNTMK-UHFFFAOYSA-N
XLogP2.01
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2,5-dichloro-N-prop-2-enyl-N-propylpyridine-4-carboxamide
CID 114918763
5-amino-2-chloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
CID 114089582
2-chloro-N-(2-hydroxyethyl)-N-prop-2-enyl-5-sulfanylbenzamide
CID 107035729
5-amino-2,3-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 107185946
2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide
CID 114917190
2-chloro-5-nitro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 103730747
2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 103860931
2,3,4,5-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 115775854
2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113368377
5-ethyl-N-(2-hydroxyethyl)-N-prop-2-enyl-1,3-thiazole-2-carboxamide
CID 75506194
3-fluoro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
CID 115775734
5-chloro-N-(2-hydroxyethyl)-2-nitro-N-prop-2-enylbenzamide
CID 115776034

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide (CID 114918916) is 2,5-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide is C=CCN(CCO)C(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide?
The InChIKey is JYEDKIZZHFNTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c1-2-3-15(4-5-16)11(17)8-6-10(13)14-7-9(8)12/h2,6-7,16H,1,3-5H2.
What are the key properties of 2,5-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide?
2,5-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide has a molecular weight of 275.13 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide is sourced from PubChem (CID 114918916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).