methyl 4-amino-3-chloro-6-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxylate

C11H10ClN3O2S — CID 22677456

IUPACmethyl 4-amino-3-chloro-6-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ncc(C)s2)cc(N)c1Cl
InChIInChI=1S/C11H10ClN3O2S/c1-5-4-14-10(18-5)7-3-6(13)8(12)9(15-7)11(16)17-2/h3-4H,1-2H3,(H2,13,15)
InChIKeySNKHXOWMRJQPTH-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.54
Rot. Bonds2

About methyl 4-amino-3-chloro-6-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxylate

methyl 4-amino-3-chloro-6-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxylate (PubChem CID 22677456) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxylate
PubChem CID22677456
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Namemethyl 4-amino-3-chloro-6-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ncc(C)s2)cc(N)c1Cl
InChIInChI=1S/C11H10ClN3O2S/c1-5-4-14-10(18-5)7-3-6(13)8(12)9(15-7)11(16)17-2/h3-4H,1-2H3,(H2,13,15)
InChIKeySNKHXOWMRJQPTH-UHFFFAOYSA-N
XLogP2.54
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylate
CID 22677295
methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate
CID 68596195
methyl 4-amino-3-chloro-6-(3,4-dimethylphenyl)pyridine-2-carboxylate
CID 22677522
methyl 4-amino-6-(2-amino-3-fluoro-5-methylphenyl)-3-chloropyridine-2-carboxylate
CID 140623371
methyl 4-amino-3-chloro-6-(3,4-dichloro-2-methylphenyl)pyridine-2-carboxylate
CID 90441363
methyl 4-amino-3-chloro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxylate
CID 22677253
CID 147920792
CID 147920792
methyl 4-amino-3-chloro-6-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate
CID 90437775
methyl 4-amino-3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 22677364
methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-formylphenyl)pyridine-2-carboxylate
CID 129168945
methyl 4-amino-3-chloro-6-(1H-indol-6-yl)pyridine-2-carboxylate
CID 90450989
methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate
CID 90440355

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-6-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxylate (CID 22677456) is methyl 4-amino-3-chloro-6-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ncc(C)s2)cc(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-6-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxylate?
The InChIKey is SNKHXOWMRJQPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c1-5-4-14-10(18-5)7-3-6(13)8(12)9(15-7)11(16)17-2/h3-4H,1-2H3,(H2,13,15).
What are the key properties of methyl 4-amino-3-chloro-6-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxylate has a molecular weight of 283.74 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-6-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxylate is sourced from PubChem (CID 22677456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).