methyl 3-amino-5-(2-chloro-6-fluorophenyl)thiophene-2-carboxylate

C12H9ClFNO2S — CID 43155527

IUPACmethyl 3-amino-5-(2-chloro-6-fluorophenyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2c(F)cccc2Cl)cc1N
InChIInChI=1S/C12H9ClFNO2S/c1-17-12(16)11-8(15)5-9(18-11)10-6(13)3-2-4-7(10)14/h2-5H,15H2,1H3
InChIKeyWOQVSDGHWGUNRZ-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.58
Rot. Bonds2

About methyl 3-amino-5-(2-chloro-6-fluorophenyl)thiophene-2-carboxylate

methyl 3-amino-5-(2-chloro-6-fluorophenyl)thiophene-2-carboxylate (PubChem CID 43155527) has the molecular formula C12H9ClFNO2S and a molecular weight of 285.73 g/mol. Its IUPAC name is methyl 3-amino-5-(2-chloro-6-fluorophenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(2-chloro-6-fluorophenyl)thiophene-2-carboxylate
PubChem CID43155527
Molecular FormulaC12H9ClFNO2S
Molecular Weight285.73 g/mol
Exact Mass285.00
IUPAC Namemethyl 3-amino-5-(2-chloro-6-fluorophenyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2c(F)cccc2Cl)cc1N
InChIInChI=1S/C12H9ClFNO2S/c1-17-12(16)11-8(15)5-9(18-11)10-6(13)3-2-4-7(10)14/h2-5H,15H2,1H3
InChIKeyWOQVSDGHWGUNRZ-UHFFFAOYSA-N
XLogP3.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-5-(3-chloro-2-fluorophenyl)thiophene-2-carboxylate
CID 81266303
methyl 3-amino-5-(4-bromo-3-chlorophenyl)thiophene-2-carboxylate
CID 81294950
methyl 3-amino-5-(5-bromo-2-fluorophenyl)thiophene-2-carboxylate
CID 43155528
methyl 3-amino-5-(4-iodophenyl)thiophene-2-carboxylate
CID 43155534
methyl 3-amino-5-(3-bromo-5-chlorophenyl)thiophene-2-carboxylate
CID 107955508
methyl 3-amino-5-phenylthiophene-2-carboxylate;methyl 3-[(2,4-dichlorobenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 157100937
methyl 3-amino-5-(4-cyanophenyl)thiophene-2-carboxylate
CID 11994774
methyl 3-amino-5-(5-methylfuran-2-yl)thiophene-2-carboxylate
CID 43155482
methyl 3-amino-5-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylate
CID 43155499
methyl 5-(2-chloro-6-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271288
methyl 3-amino-5-(2,6-difluorophenyl)-4-ethylthiophene-2-carboxylate
CID 61313579
methyl 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2-carboxylate
CID 103425708

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(2-chloro-6-fluorophenyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-(2-chloro-6-fluorophenyl)thiophene-2-carboxylate (CID 43155527) is methyl 3-amino-5-(2-chloro-6-fluorophenyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(2-chloro-6-fluorophenyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-(2-chloro-6-fluorophenyl)thiophene-2-carboxylate is COC(=O)c1sc(-c2c(F)cccc2Cl)cc1N.
What is the InChIKey of methyl 3-amino-5-(2-chloro-6-fluorophenyl)thiophene-2-carboxylate?
The InChIKey is WOQVSDGHWGUNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO2S/c1-17-12(16)11-8(15)5-9(18-11)10-6(13)3-2-4-7(10)14/h2-5H,15H2,1H3.
What are the key properties of methyl 3-amino-5-(2-chloro-6-fluorophenyl)thiophene-2-carboxylate?
methyl 3-amino-5-(2-chloro-6-fluorophenyl)thiophene-2-carboxylate has a molecular weight of 285.73 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(2-chloro-6-fluorophenyl)thiophene-2-carboxylate is sourced from PubChem (CID 43155527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).