3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide

C8H8Cl2N2O2 — CID 60692450

IUPAC3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESO=C(NCCO)c1nc(Cl)ccc1Cl
InChIInChI=1S/C8H8Cl2N2O2/c9-5-1-2-6(10)12-7(5)8(14)11-3-4-13/h1-2,13H,3-4H2,(H,11,14)
InChIKeyIXZRPBTULSZEEM-UHFFFAOYSA-N
MW235.07 g/mol
LogP1.11
Rot. Bonds3

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

3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide (PubChem CID 60692450) has the molecular formula C8H8Cl2N2O2 and a molecular weight of 235.07 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
PubChem CID60692450
Molecular FormulaC8H8Cl2N2O2
Molecular Weight235.07 g/mol
Exact Mass234.00
IUPAC Name3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESO=C(NCCO)c1nc(Cl)ccc1Cl
InChIInChI=1S/C8H8Cl2N2O2/c9-5-1-2-6(10)12-7(5)8(14)11-3-4-13/h1-2,13H,3-4H2,(H,11,14)
InChIKeyIXZRPBTULSZEEM-UHFFFAOYSA-N
XLogP1.11
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide
CID 113365346
3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide
CID 60693634
3,6-dichloropyridine-2-carbohydrazide
CID 45278328
3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 47215448
3,6-dichloro-N-hex-5-ynylpyridine-2-carboxamide
CID 103758152
3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide
CID 115619986
3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 26518394
3,6-dichloro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 1397872
3,6-dichloro-N-(4-cyanobutyl)pyridine-2-carboxamide
CID 63284311
3,6-dichloro-N-prop-2-enylpyridine-2-carboxamide
CID 26643522
N-[2-(2-amino-2-oxoethoxy)ethyl]-3,6-dichloropyridine-2-carboxamide
CID 113257998
3,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 114751194

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide (CID 60692450) is 3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide is O=C(NCCO)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The InChIKey is IXZRPBTULSZEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O2/c9-5-1-2-6(10)12-7(5)8(14)11-3-4-13/h1-2,13H,3-4H2,(H,11,14).
What are the key properties of 3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide?
3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide has a molecular weight of 235.07 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 60692450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).