5-bromo-2-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpyridine

C12H16BrClN2O3S — CID 102675668

IUPAC5-bromo-2-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpyridine
SMILESCOC1CN(S(=O)(=O)c2cc(Br)cnc2Cl)CCC1C
InChIInChI=1S/C12H16BrClN2O3S/c1-8-3-4-16(7-10(8)19-2)20(17,18)11-5-9(13)6-15-12(11)14/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyZDSURKLUQKOEQS-UHFFFAOYSA-N
MW383.70 g/mol
LogP2.54
Rot. Bonds3

About 5-bromo-2-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpyridine

5-bromo-2-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpyridine (PubChem CID 102675668) has the molecular formula C12H16BrClN2O3S and a molecular weight of 383.70 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name5-bromo-2-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpyridine
PubChem CID102675668
Molecular FormulaC12H16BrClN2O3S
Molecular Weight383.70 g/mol
Exact Mass381.98
IUPAC Name5-bromo-2-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpyridine
SMILESCOC1CN(S(=O)(=O)c2cc(Br)cnc2Cl)CCC1C
InChIInChI=1S/C12H16BrClN2O3S/c1-8-3-4-16(7-10(8)19-2)20(17,18)11-5-9(13)6-15-12(11)14/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyZDSURKLUQKOEQS-UHFFFAOYSA-N
XLogP2.54
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.70
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine
CID 55870113
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methylthiomorpholine
CID 115611975
(2S,6R)-4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,6-dimethylmorpholine
CID 103931384
7-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methoxy-7-azaspiro[3.5]nonane
CID 166416203
2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49245874
3-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66369806
[4-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol
CID 102970791
2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 61073342
1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]-4-methylpiperidin-3-ol
CID 103896892
5-bromo-3-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538299
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one
CID 63362436
1-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-4-(cyclopropylmethyl)piperazine
CID 61059092

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpyridine?
The IUPAC name of 5-bromo-2-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpyridine (CID 102675668) is 5-bromo-2-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 5-bromo-2-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpyridine?
The canonical SMILES for 5-bromo-2-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpyridine is COC1CN(S(=O)(=O)c2cc(Br)cnc2Cl)CCC1C.
What is the InChIKey of 5-bromo-2-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpyridine?
The InChIKey is ZDSURKLUQKOEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O3S/c1-8-3-4-16(7-10(8)19-2)20(17,18)11-5-9(13)6-15-12(11)14/h5-6,8,10H,3-4,7H2,1-2H3.
What are the key properties of 5-bromo-2-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpyridine?
5-bromo-2-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpyridine has a molecular weight of 383.70 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 102675668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).