2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide

C12H11ClN2O2S — CID 103771739

IUPAC2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCC(O)c1ccsc1)c1cccnc1Cl
InChIInChI=1S/C12H11ClN2O2S/c13-11-9(2-1-4-14-11)12(17)15-6-10(16)8-3-5-18-7-8/h1-5,7,10,16H,6H2,(H,15,17)
InChIKeyURHJXVFPOSGOQN-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.26
Rot. Bonds4

About 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide

2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide (PubChem CID 103771739) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide
PubChem CID103771739
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCC(O)c1ccsc1)c1cccnc1Cl
InChIInChI=1S/C12H11ClN2O2S/c13-11-9(2-1-4-14-11)12(17)15-6-10(16)8-3-5-18-7-8/h1-5,7,10,16H,6H2,(H,15,17)
InChIKeyURHJXVFPOSGOQN-UHFFFAOYSA-N
XLogP2.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.26
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

N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-pyrazol-1-ylpyridine-3-carboxamide
CID 97227850
2-amino-3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 106434340
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103715894
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 93419851
N-(2-hydroxy-2-thiophen-3-ylethyl)quinoline-6-carboxamide
CID 103686077
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-sulfonamide
CID 104600318
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-pyridin-3-yloxybenzamide
CID 111441717
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-nitrobenzamide
CID 90496477
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide
CID 103767187
2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 52992615
2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686301

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide (CID 103771739) is 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide is O=C(NCC(O)c1ccsc1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide?
The InChIKey is URHJXVFPOSGOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c13-11-9(2-1-4-14-11)12(17)15-6-10(16)8-3-5-18-7-8/h1-5,7,10,16H,6H2,(H,15,17).
What are the key properties of 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide?
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide has a molecular weight of 282.75 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 103771739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).