methyl 4-(sulfinylamino)pyridine-2-carboxylate

C7H6N2O3S — CID 129321367

IUPACmethyl 4-(sulfinylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N=S=O)ccn1
InChIInChI=1S/C7H6N2O3S/c1-12-7(10)6-4-5(9-13-11)2-3-8-6/h2-4H,1H3
InChIKeyJLOSQXNUJLBQKO-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.90
Rot. Bonds2

About methyl 4-(sulfinylamino)pyridine-2-carboxylate

methyl 4-(sulfinylamino)pyridine-2-carboxylate (PubChem CID 129321367) has the molecular formula C7H6N2O3S and a molecular weight of 198.20 g/mol. Its IUPAC name is methyl 4-(sulfinylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(sulfinylamino)pyridine-2-carboxylate
PubChem CID129321367
Molecular FormulaC7H6N2O3S
Molecular Weight198.20 g/mol
Exact Mass198.01
IUPAC Namemethyl 4-(sulfinylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N=S=O)ccn1
InChIInChI=1S/C7H6N2O3S/c1-12-7(10)6-4-5(9-13-11)2-3-8-6/h2-4H,1H3
InChIKeyJLOSQXNUJLBQKO-UHFFFAOYSA-N
XLogP0.90
TPSA68.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methylpyridine-2-carboxylate
CID 10920693
disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride
CID 172849137
methyl 4-aminopyridine-2-carboxylate
CID 3759117
methyl 4-(sulfinylamino)benzoate
CID 13212869
methyl 4-pyridin-4-ylpyridine-2-carboxylate
CID 46317488
ethene;methyl 4-aminopyridine-2-carboxylate
CID 177218086
methyl 4-dimethylphosphorylpyridine-2-carboxylate
CID 155970992
methyl 4-(4-phenylphenyl)pyridine-2-carboxylate
CID 70853401
methyl 4-(4-fluorophenyl)pyridine-2-carboxylate
CID 54226711
methyl 4-(2-hydroxyethyl)pyridine-2-carboxylate
CID 15719002
methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate
CID 66286478
methyl 4-(2-aminoethoxy)pyridine-2-carboxylate
CID 66286147

Frequently Asked Questions

What is the IUPAC name of methyl 4-(sulfinylamino)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(sulfinylamino)pyridine-2-carboxylate (CID 129321367) is methyl 4-(sulfinylamino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(sulfinylamino)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(sulfinylamino)pyridine-2-carboxylate is COC(=O)c1cc(N=S=O)ccn1.
What is the InChIKey of methyl 4-(sulfinylamino)pyridine-2-carboxylate?
The InChIKey is JLOSQXNUJLBQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3S/c1-12-7(10)6-4-5(9-13-11)2-3-8-6/h2-4H,1H3.
What are the key properties of methyl 4-(sulfinylamino)pyridine-2-carboxylate?
methyl 4-(sulfinylamino)pyridine-2-carboxylate has a molecular weight of 198.20 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(sulfinylamino)pyridine-2-carboxylate is sourced from PubChem (CID 129321367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).