2-chloro-4-methoxycarbonyl-6-[methyl(sulfino)amino]pyridine

C8H9ClN2O4S — CID 91551391

IUPAC2-chloro-4-methoxycarbonyl-6-[methyl(sulfino)amino]pyridine
SMILESCOC(=O)c1cc(Cl)nc(N(C)S(=O)O)c1
InChIInChI=1S/C8H9ClN2O4S/c1-11(16(13)14)7-4-5(8(12)15-2)3-6(9)10-7/h3-4H,1-2H3,(H,13,14)
InChIKeyGGQAZZYVAXCBHM-UHFFFAOYSA-N
MW264.69 g/mol
LogP1.09
Rot. Bonds3

About 2-chloro-4-methoxycarbonyl-6-[methyl(sulfino)amino]pyridine

2-chloro-4-methoxycarbonyl-6-[methyl(sulfino)amino]pyridine (PubChem CID 91551391) has the molecular formula C8H9ClN2O4S and a molecular weight of 264.69 g/mol. Its IUPAC name is 2-chloro-4-methoxycarbonyl-6-[methyl(sulfino)amino]pyridine.

Molecular Properties

Compound Name2-chloro-4-methoxycarbonyl-6-[methyl(sulfino)amino]pyridine
PubChem CID91551391
Molecular FormulaC8H9ClN2O4S
Molecular Weight264.69 g/mol
Exact Mass264.00
IUPAC Name2-chloro-4-methoxycarbonyl-6-[methyl(sulfino)amino]pyridine
SMILESCOC(=O)c1cc(Cl)nc(N(C)S(=O)O)c1
InChIInChI=1S/C8H9ClN2O4S/c1-11(16(13)14)7-4-5(8(12)15-2)3-6(9)10-7/h3-4H,1-2H3,(H,13,14)
InChIKeyGGQAZZYVAXCBHM-UHFFFAOYSA-N
XLogP1.09
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxycarbonyl-6-[methyl(sulfino)amino]pyridine?
The IUPAC name of 2-chloro-4-methoxycarbonyl-6-[methyl(sulfino)amino]pyridine (CID 91551391) is 2-chloro-4-methoxycarbonyl-6-[methyl(sulfino)amino]pyridine.
What is the SMILES notation for 2-chloro-4-methoxycarbonyl-6-[methyl(sulfino)amino]pyridine?
The canonical SMILES for 2-chloro-4-methoxycarbonyl-6-[methyl(sulfino)amino]pyridine is COC(=O)c1cc(Cl)nc(N(C)S(=O)O)c1.
What is the InChIKey of 2-chloro-4-methoxycarbonyl-6-[methyl(sulfino)amino]pyridine?
The InChIKey is GGQAZZYVAXCBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O4S/c1-11(16(13)14)7-4-5(8(12)15-2)3-6(9)10-7/h3-4H,1-2H3,(H,13,14).
What are the key properties of 2-chloro-4-methoxycarbonyl-6-[methyl(sulfino)amino]pyridine?
2-chloro-4-methoxycarbonyl-6-[methyl(sulfino)amino]pyridine has a molecular weight of 264.69 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxycarbonyl-6-[methyl(sulfino)amino]pyridine is sourced from PubChem (CID 91551391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).