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

C11H9ClFN3O2S — CID 68597645

IUPACmethyl 4-amino-3-chloro-5-fluoro-6-(2-methyl-1,3-thiazol-4-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2csc(C)n2)c(F)c(N)c1Cl
InChIInChI=1S/C11H9ClFN3O2S/c1-4-15-5(3-19-4)9-7(13)8(14)6(12)10(16-9)11(17)18-2/h3H,1-2H3,(H2,14,16)
InChIKeyJKKPYZQXMGIBBU-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.67
Rot. Bonds2

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

methyl 4-amino-3-chloro-5-fluoro-6-(2-methyl-1,3-thiazol-4-yl)pyridine-2-carboxylate (PubChem CID 68597645) has the molecular formula C11H9ClFN3O2S and a molecular weight of 301.73 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-5-fluoro-6-(2-methyl-1,3-thiazol-4-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-5-fluoro-6-(2-methyl-1,3-thiazol-4-yl)pyridine-2-carboxylate
PubChem CID68597645
Molecular FormulaC11H9ClFN3O2S
Molecular Weight301.73 g/mol
Exact Mass301.01
IUPAC Namemethyl 4-amino-3-chloro-5-fluoro-6-(2-methyl-1,3-thiazol-4-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2csc(C)n2)c(F)c(N)c1Cl
InChIInChI=1S/C11H9ClFN3O2S/c1-4-15-5(3-19-4)9-7(13)8(14)6(12)10(16-9)11(17)18-2/h3H,1-2H3,(H2,14,16)
InChIKeyJKKPYZQXMGIBBU-UHFFFAOYSA-N
XLogP2.67
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-5-fluoro-6-(2-methyl-1,3-thiazol-4-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-5-fluoro-6-(2-methyl-1,3-thiazol-4-yl)pyridine-2-carboxylate (CID 68597645) is methyl 4-amino-3-chloro-5-fluoro-6-(2-methyl-1,3-thiazol-4-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-5-fluoro-6-(2-methyl-1,3-thiazol-4-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-5-fluoro-6-(2-methyl-1,3-thiazol-4-yl)pyridine-2-carboxylate is COC(=O)c1nc(-c2csc(C)n2)c(F)c(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-5-fluoro-6-(2-methyl-1,3-thiazol-4-yl)pyridine-2-carboxylate?
The InChIKey is JKKPYZQXMGIBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O2S/c1-4-15-5(3-19-4)9-7(13)8(14)6(12)10(16-9)11(17)18-2/h3H,1-2H3,(H2,14,16).
What are the key properties of methyl 4-amino-3-chloro-5-fluoro-6-(2-methyl-1,3-thiazol-4-yl)pyridine-2-carboxylate?
methyl 4-amino-3-chloro-5-fluoro-6-(2-methyl-1,3-thiazol-4-yl)pyridine-2-carboxylate has a molecular weight of 301.73 g/mol, XLogP of 2.67, 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-5-fluoro-6-(2-methyl-1,3-thiazol-4-yl)pyridine-2-carboxylate is sourced from PubChem (CID 68597645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).