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

C15H10ClFN2O2S — CID 90451058

IUPACmethyl 4-amino-3-chloro-6-(5-fluoro-1-benzothiophen-6-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cc3sccc3cc2F)cc(N)c1Cl
InChIInChI=1S/C15H10ClFN2O2S/c1-21-15(20)14-13(16)10(18)6-11(19-14)8-5-12-7(2-3-22-12)4-9(8)17/h2-6H,1H3,(H2,18,19)
InChIKeyCBYCLFXYCMTQKX-UHFFFAOYSA-N
MW336.78 g/mol
LogP4.12
Rot. Bonds2

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

methyl 4-amino-3-chloro-6-(5-fluoro-1-benzothiophen-6-yl)pyridine-2-carboxylate (PubChem CID 90451058) has the molecular formula C15H10ClFN2O2S and a molecular weight of 336.78 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-(5-fluoro-1-benzothiophen-6-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-(5-fluoro-1-benzothiophen-6-yl)pyridine-2-carboxylate
PubChem CID90451058
Molecular FormulaC15H10ClFN2O2S
Molecular Weight336.78 g/mol
Exact Mass336.01
IUPAC Namemethyl 4-amino-3-chloro-6-(5-fluoro-1-benzothiophen-6-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cc3sccc3cc2F)cc(N)c1Cl
InChIInChI=1S/C15H10ClFN2O2S/c1-21-15(20)14-13(16)10(18)6-11(19-14)8-5-12-7(2-3-22-12)4-9(8)17/h2-6H,1H3,(H2,18,19)
InChIKeyCBYCLFXYCMTQKX-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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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-6-(5-fluoro-1-benzothiophen-6-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-(5-fluoro-1-benzothiophen-6-yl)pyridine-2-carboxylate (CID 90451058) is methyl 4-amino-3-chloro-6-(5-fluoro-1-benzothiophen-6-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-(5-fluoro-1-benzothiophen-6-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-(5-fluoro-1-benzothiophen-6-yl)pyridine-2-carboxylate is COC(=O)c1nc(-c2cc3sccc3cc2F)cc(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-6-(5-fluoro-1-benzothiophen-6-yl)pyridine-2-carboxylate?
The InChIKey is CBYCLFXYCMTQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2S/c1-21-15(20)14-13(16)10(18)6-11(19-14)8-5-12-7(2-3-22-12)4-9(8)17/h2-6H,1H3,(H2,18,19).
What are the key properties of methyl 4-amino-3-chloro-6-(5-fluoro-1-benzothiophen-6-yl)pyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-(5-fluoro-1-benzothiophen-6-yl)pyridine-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-3-chloro-6-(5-fluoro-1-benzothiophen-6-yl)pyridine-2-carboxylate is sourced from PubChem (CID 90451058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).