methyl 4-amino-3-chloro-6-(5-chlorothiophen-2-yl)pyridine-2-carboxylate

C11H8Cl2N2O2S — CID 22677251

IUPACmethyl 4-amino-3-chloro-6-(5-chlorothiophen-2-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)s2)cc(N)c1Cl
InChIInChI=1S/C11H8Cl2N2O2S/c1-17-11(16)10-9(13)5(14)4-6(15-10)7-2-3-8(12)18-7/h2-4H,1H3,(H2,14,15)
InChIKeyYTWBMULVBQEESL-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.49
Rot. Bonds2

About methyl 4-amino-3-chloro-6-(5-chlorothiophen-2-yl)pyridine-2-carboxylate

methyl 4-amino-3-chloro-6-(5-chlorothiophen-2-yl)pyridine-2-carboxylate (PubChem CID 22677251) has the molecular formula C11H8Cl2N2O2S and a molecular weight of 303.17 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-(5-chlorothiophen-2-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-(5-chlorothiophen-2-yl)pyridine-2-carboxylate
PubChem CID22677251
Molecular FormulaC11H8Cl2N2O2S
Molecular Weight303.17 g/mol
Exact Mass301.97
IUPAC Namemethyl 4-amino-3-chloro-6-(5-chlorothiophen-2-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)s2)cc(N)c1Cl
InChIInChI=1S/C11H8Cl2N2O2S/c1-17-11(16)10-9(13)5(14)4-6(15-10)7-2-3-8(12)18-7/h2-4H,1H3,(H2,14,15)
InChIKeyYTWBMULVBQEESL-UHFFFAOYSA-N
XLogP3.49
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-Chlorothiophen-2-yl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate
CID 2365093
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 3,6-dichloropyridine-2-carboxylate
CID 4529534
Methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(fluoromethylsulfanyl)phenyl]pyridine-2-carboxylate
CID 68597395
Methyl 4-amino-3-chloro-6-[3-chloro-5-fluoro-4-(fluoromethyl)thiophen-2-yl]pyridine-2-carboxylate
CID 68597400
Methyl 4-amino-3-chloro-5-fluoro-6-(2-methyl-1,3-thiazol-4-yl)pyridine-2-carboxylate
CID 68597645
4-Amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylic acid
CID 68599860
Methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylsulfanylphenyl)pyridine-2-carboxylate
CID 68809556
Methyl 4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylate
CID 68809559
Methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)pyridine-2-carboxylate
CID 90441351
Methyl 4-amino-3-chloro-6-(5-fluoro-1-benzothiophen-6-yl)pyridine-2-carboxylate
CID 90451058
Methyl 4-amino-3-chloro-6-(1-fluoroethenyl)pyridine-2-carboxylate
CID 118125602
Methyl 4-amino-3-chloro-6-(2-fluoroethyl)pyridine-2-carboxylate
CID 118125612

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-6-(5-chlorothiophen-2-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-(5-chlorothiophen-2-yl)pyridine-2-carboxylate (CID 22677251) is methyl 4-amino-3-chloro-6-(5-chlorothiophen-2-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-(5-chlorothiophen-2-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-(5-chlorothiophen-2-yl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(Cl)s2)cc(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-6-(5-chlorothiophen-2-yl)pyridine-2-carboxylate?
The InChIKey is YTWBMULVBQEESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2S/c1-17-11(16)10-9(13)5(14)4-6(15-10)7-2-3-8(12)18-7/h2-4H,1H3,(H2,14,15).
What are the key properties of methyl 4-amino-3-chloro-6-(5-chlorothiophen-2-yl)pyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-(5-chlorothiophen-2-yl)pyridine-2-carboxylate has a molecular weight of 303.17 g/mol, XLogP of 3.49, 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-chlorothiophen-2-yl)pyridine-2-carboxylate is sourced from PubChem (CID 22677251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).