methyl 4-amino-6-(1-benzothiophen-4-yl)-3-chloro-5-fluoropyridine-2-carboxylate

C15H10ClFN2O2S — CID 90451064

IUPACmethyl 4-amino-6-(1-benzothiophen-4-yl)-3-chloro-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cccc3sccc23)c(F)c(N)c1Cl
InChIInChI=1S/C15H10ClFN2O2S/c1-21-15(20)14-10(16)12(18)11(17)13(19-14)8-3-2-4-9-7(8)5-6-22-9/h2-6H,1H3,(H2,18,19)
InChIKeyKNVIIZNVHXREJB-UHFFFAOYSA-N
MW336.78 g/mol
LogP4.12
Rot. Bonds2

About methyl 4-amino-6-(1-benzothiophen-4-yl)-3-chloro-5-fluoropyridine-2-carboxylate

methyl 4-amino-6-(1-benzothiophen-4-yl)-3-chloro-5-fluoropyridine-2-carboxylate (PubChem CID 90451064) has the molecular formula C15H10ClFN2O2S and a molecular weight of 336.78 g/mol. Its IUPAC name is methyl 4-amino-6-(1-benzothiophen-4-yl)-3-chloro-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-(1-benzothiophen-4-yl)-3-chloro-5-fluoropyridine-2-carboxylate
PubChem CID90451064
Molecular FormulaC15H10ClFN2O2S
Molecular Weight336.78 g/mol
Exact Mass336.01
IUPAC Namemethyl 4-amino-6-(1-benzothiophen-4-yl)-3-chloro-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cccc3sccc23)c(F)c(N)c1Cl
InChIInChI=1S/C15H10ClFN2O2S/c1-21-15(20)14-10(16)12(18)11(17)13(19-14)8-3-2-4-9-7(8)5-6-22-9/h2-6H,1H3,(H2,18,19)
InChIKeyKNVIIZNVHXREJB-UHFFFAOYSA-N
XLogP4.12
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 90451077
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CID 90451080
methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate
CID 90440258
methyl 4-amino-3-chloro-6-(2,3-difluoro-4-formylphenyl)-5-fluoropyridine-2-carboxylate
CID 90408725
methyl 4-amino-6-(2-amino-5-chloro-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate
CID 67974861
methyl 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate
CID 22677382
methyl 2-[[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carbonyl]amino]acetate
CID 175232153
(2-methoxycarbonylphenyl)methyl 4-amino-3-chloro-5-fluoro-6-[2-fluoro-4-(iodomethyl)-3-methoxyphenyl]pyridine-2-carboxylate
CID 118258665
methyl 4-(4-fluorophenyl)thieno[3,2-c]pyridine-6-carboxylate
CID 102538286
methyl 4-amino-3-chloro-5-fluoro-6-prop-2-enylpyridine-2-carboxylate
CID 118125607
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate
CID 59432126
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-carboxylate
CID 59432141

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-(1-benzothiophen-4-yl)-3-chloro-5-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-(1-benzothiophen-4-yl)-3-chloro-5-fluoropyridine-2-carboxylate (CID 90451064) is methyl 4-amino-6-(1-benzothiophen-4-yl)-3-chloro-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-(1-benzothiophen-4-yl)-3-chloro-5-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-(1-benzothiophen-4-yl)-3-chloro-5-fluoropyridine-2-carboxylate is COC(=O)c1nc(-c2cccc3sccc23)c(F)c(N)c1Cl.
What is the InChIKey of methyl 4-amino-6-(1-benzothiophen-4-yl)-3-chloro-5-fluoropyridine-2-carboxylate?
The InChIKey is KNVIIZNVHXREJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2S/c1-21-15(20)14-10(16)12(18)11(17)13(19-14)8-3-2-4-9-7(8)5-6-22-9/h2-6H,1H3,(H2,18,19).
What are the key properties of methyl 4-amino-6-(1-benzothiophen-4-yl)-3-chloro-5-fluoropyridine-2-carboxylate?
methyl 4-amino-6-(1-benzothiophen-4-yl)-3-chloro-5-fluoropyridine-2-carboxylate has a molecular weight of 336.78 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-(1-benzothiophen-4-yl)-3-chloro-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 90451064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).