1-chloro-N-(2-hydroxyethyl)-2H-pyridine-3-carboxamide

C8H11ClN2O2 — CID 23054844

IUPAC1-chloro-N-(2-hydroxyethyl)-2H-pyridine-3-carboxamide
SMILESO=C(NCCO)C1=CC=CN(Cl)C1
InChIInChI=1S/C8H11ClN2O2/c9-11-4-1-2-7(6-11)8(13)10-3-5-12/h1-2,4,12H,3,5-6H2,(H,10,13)
InChIKeyWYDBGHXXOVOFST-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.00
Rot. Bonds3

About 1-chloro-N-(2-hydroxyethyl)-2H-pyridine-3-carboxamide

1-chloro-N-(2-hydroxyethyl)-2H-pyridine-3-carboxamide (PubChem CID 23054844) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 1-chloro-N-(2-hydroxyethyl)-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-chloro-N-(2-hydroxyethyl)-2H-pyridine-3-carboxamide
PubChem CID23054844
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name1-chloro-N-(2-hydroxyethyl)-2H-pyridine-3-carboxamide
SMILESO=C(NCCO)C1=CC=CN(Cl)C1
InChIInChI=1S/C8H11ClN2O2/c9-11-4-1-2-7(6-11)8(13)10-3-5-12/h1-2,4,12H,3,5-6H2,(H,10,13)
InChIKeyWYDBGHXXOVOFST-UHFFFAOYSA-N
XLogP0.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2-hydroxyethyl)-2H-pyridine-3-carboxamide?
The IUPAC name of 1-chloro-N-(2-hydroxyethyl)-2H-pyridine-3-carboxamide (CID 23054844) is 1-chloro-N-(2-hydroxyethyl)-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-chloro-N-(2-hydroxyethyl)-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-chloro-N-(2-hydroxyethyl)-2H-pyridine-3-carboxamide is O=C(NCCO)C1=CC=CN(Cl)C1.
What is the InChIKey of 1-chloro-N-(2-hydroxyethyl)-2H-pyridine-3-carboxamide?
The InChIKey is WYDBGHXXOVOFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c9-11-4-1-2-7(6-11)8(13)10-3-5-12/h1-2,4,12H,3,5-6H2,(H,10,13).
What are the key properties of 1-chloro-N-(2-hydroxyethyl)-2H-pyridine-3-carboxamide?
1-chloro-N-(2-hydroxyethyl)-2H-pyridine-3-carboxamide has a molecular weight of 202.64 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2-hydroxyethyl)-2H-pyridine-3-carboxamide is sourced from PubChem (CID 23054844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).