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

C11H13ClN2O2S — CID 111596999

IUPAC6-chloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(O)CCSC1)c1cccc(Cl)n1
InChIInChI=1S/C11H13ClN2O2S/c12-9-3-1-2-8(14-9)10(15)13-6-11(16)4-5-17-7-11/h1-3,16H,4-7H2,(H,13,15)
InChIKeyVYESIDRZGFNFFA-UHFFFAOYSA-N
MW272.76 g/mol
LogP1.33
Rot. Bonds3

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

6-chloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 111596999) has the molecular formula C11H13ClN2O2S and a molecular weight of 272.76 g/mol. Its IUPAC name is 6-chloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide
PubChem CID111596999
Molecular FormulaC11H13ClN2O2S
Molecular Weight272.76 g/mol
Exact Mass272.04
IUPAC Name6-chloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(O)CCSC1)c1cccc(Cl)n1
InChIInChI=1S/C11H13ClN2O2S/c12-9-3-1-2-8(14-9)10(15)13-6-11(16)4-5-17-7-11/h1-3,16H,4-7H2,(H,13,15)
InChIKeyVYESIDRZGFNFFA-UHFFFAOYSA-N
XLogP1.33
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide
CID 71981848
2-chloro-N-[(3-hydroxythiolan-3-yl)methyl]-3-methylbenzamide
CID 109399417
2,6-difluoro-N-[(3-hydroxythiolan-3-yl)methyl]benzamide
CID 111597077
3,6-dichloro-N-[(4-hydroxythian-4-yl)methyl]pyridine-2-carboxamide
CID 111484832
6-chloro-N-(3-cyanothiolan-3-yl)pyridine-2-carboxamide
CID 62234577
1-[2-(3-chlorophenyl)ethyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 111618399
5-tert-butyl-N-[(3-hydroxythiolan-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 111597382
N-[(3-hydroxythiolan-3-yl)methyl]thiadiazole-5-carboxamide
CID 166208940
2-(furan-3-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 111596989
6-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107417789
1-(2-chloro-3-methylphenyl)-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 111618293
2-[(6-chloropyridine-2-carbonyl)amino]ethyl carbamate
CID 83210511

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide (CID 111596999) is 6-chloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide is O=C(NCC1(O)CCSC1)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is VYESIDRZGFNFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2S/c12-9-3-1-2-8(14-9)10(15)13-6-11(16)4-5-17-7-11/h1-3,16H,4-7H2,(H,13,15).
What are the key properties of 6-chloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide?
6-chloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide has a molecular weight of 272.76 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 111596999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).