4-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)pyridine

C10H11ClN2O2S — CID 114408724

IUPAC4-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)pyridine
SMILESO=S(=O)(c1cnccc1Cl)N1CC=CCC1
InChIInChI=1S/C10H11ClN2O2S/c11-9-4-5-12-8-10(9)16(14,15)13-6-2-1-3-7-13/h1-2,4-5,8H,3,6-7H2
InChIKeyCIEGMUZTVWHQBU-UHFFFAOYSA-N
MW258.73 g/mol
LogP1.69
Rot. Bonds2

About 4-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)pyridine

4-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)pyridine (PubChem CID 114408724) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 4-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)pyridine.

Molecular Properties

Compound Name4-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)pyridine
PubChem CID114408724
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name4-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)pyridine
SMILESO=S(=O)(c1cnccc1Cl)N1CC=CCC1
InChIInChI=1S/C10H11ClN2O2S/c11-9-4-5-12-8-10(9)16(14,15)13-6-2-1-3-7-13/h1-2,4-5,8H,3,6-7H2
InChIKeyCIEGMUZTVWHQBU-UHFFFAOYSA-N
XLogP1.69
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chloro-3-pyridinyl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 113335667
(3R)-1-[(4-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 104940811
4-[(4-chloro-3-pyridinyl)sulfonyl]piperazine-2,6-dione
CID 66083611
2-chloro-5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)pyrimidine
CID 114408721
2-[(4-chloro-3-pyridinyl)sulfonyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81096767
N-[[4-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)phenyl]methyl]ethanamine
CID 114414130
2-[4-[4-[(4-chloro-3-pyridinyl)sulfonyl]piperazin-1-yl]phenyl]-1,1,1-trifluoropropan-2-ol
CID 70659765
1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine
CID 141178417
4-[(4-chloro-3-pyridinyl)sulfonyl]-3-ethylpiperazine-2,6-dione
CID 66068360
4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)naphthalen-1-amine
CID 114411264
[5-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-2-fluorophenyl]methanol
CID 114413737
8-chloro-5-piperazin-1-ylsulfonylisoquinoline
CID 3653475

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)pyridine?
The IUPAC name of 4-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)pyridine (CID 114408724) is 4-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)pyridine.
What is the SMILES notation for 4-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)pyridine?
The canonical SMILES for 4-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)pyridine is O=S(=O)(c1cnccc1Cl)N1CC=CCC1.
What is the InChIKey of 4-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)pyridine?
The InChIKey is CIEGMUZTVWHQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c11-9-4-5-12-8-10(9)16(14,15)13-6-2-1-3-7-13/h1-2,4-5,8H,3,6-7H2.
What are the key properties of 4-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)pyridine?
4-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)pyridine has a molecular weight of 258.73 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)pyridine is sourced from PubChem (CID 114408724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).