3,6-dichloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide

C11H12Cl2N2O2S — CID 71981848

IUPAC3,6-dichloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(O)CCSC1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl2N2O2S/c12-7-1-2-8(13)15-9(7)10(16)14-5-11(17)3-4-18-6-11/h1-2,17H,3-6H2,(H,14,16)
InChIKeyNUBJQVNYNWYZLL-UHFFFAOYSA-N
MW307.20 g/mol
LogP1.99
Rot. Bonds3

About 3,6-dichloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide

3,6-dichloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 71981848) has the molecular formula C11H12Cl2N2O2S and a molecular weight of 307.20 g/mol. Its IUPAC name is 3,6-dichloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide
PubChem CID71981848
Molecular FormulaC11H12Cl2N2O2S
Molecular Weight307.20 g/mol
Exact Mass306.00
IUPAC Name3,6-dichloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(O)CCSC1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl2N2O2S/c12-7-1-2-8(13)15-9(7)10(16)14-5-11(17)3-4-18-6-11/h1-2,17H,3-6H2,(H,14,16)
InChIKeyNUBJQVNYNWYZLL-UHFFFAOYSA-N
XLogP1.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,6-dichloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-dichloro-N-[(4-hydroxythian-4-yl)methyl]pyridine-2-carboxamide
CID 111484832
6-chloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide
CID 111596999
3,6-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide
CID 79038761
3,6-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 65118546
3,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 114751194
3,6-dichloropyridine-2-carbohydrazide
CID 45278328
2-chloro-N-[(3-hydroxythiolan-3-yl)methyl]-3-methylbenzamide
CID 109399417
2,6-difluoro-N-[(3-hydroxythiolan-3-yl)methyl]benzamide
CID 111597077
N-[(3-hydroxythiolan-3-yl)methyl]thiadiazole-5-carboxamide
CID 166208940
2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-4-carboxamide
CID 111597214
5-chloro-N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]thiophene-2-carboxamide
CID 146080055
3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60692450

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide (CID 71981848) is 3,6-dichloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide is O=C(NCC1(O)CCSC1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is NUBJQVNYNWYZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2S/c12-7-1-2-8(13)15-9(7)10(16)14-5-11(17)3-4-18-6-11/h1-2,17H,3-6H2,(H,14,16).
What are the key properties of 3,6-dichloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide?
3,6-dichloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide has a molecular weight of 307.20 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 71981848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).