methyl 2-amino-4-(5-fluoro-3-pyridinyl)thiophene-3-carboxylate

C11H9FN2O2S — CID 114080591

IUPACmethyl 2-amino-4-(5-fluoro-3-pyridinyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2cncc(F)c2)csc1N
InChIInChI=1S/C11H9FN2O2S/c1-16-11(15)9-8(5-17-10(9)13)6-2-7(12)4-14-3-6/h2-5H,13H2,1H3
InChIKeyHVCDLICOJVIRPZ-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.32
Rot. Bonds2

About methyl 2-amino-4-(5-fluoro-3-pyridinyl)thiophene-3-carboxylate

methyl 2-amino-4-(5-fluoro-3-pyridinyl)thiophene-3-carboxylate (PubChem CID 114080591) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 2-amino-4-(5-fluoro-3-pyridinyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(5-fluoro-3-pyridinyl)thiophene-3-carboxylate
PubChem CID114080591
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC Namemethyl 2-amino-4-(5-fluoro-3-pyridinyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2cncc(F)c2)csc1N
InChIInChI=1S/C11H9FN2O2S/c1-16-11(15)9-8(5-17-10(9)13)6-2-7(12)4-14-3-6/h2-5H,13H2,1H3
InChIKeyHVCDLICOJVIRPZ-UHFFFAOYSA-N
XLogP2.32
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
CID 874645
methyl 2-amino-4-propylthiophene-3-carboxylate
CID 10559922
methyl 2-amino-4-(methoxymethyl)thiophene-3-carboxylate
CID 15889788
2-methylpropyl 2-amino-4-pyridin-3-ylthiophene-3-carboxylate
CID 82056806
2-amino-4-pyridin-3-ylthiophene-3-carboxylic acid
CID 70232661
methyl 2-amino-4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)thiophene-3-carboxylate
CID 39079228
methyl 5-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 71304424
methyl 2-amino-4-cyclopentylthiophene-3-carboxylate
CID 62633873
methyl 2-(5-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 121379369
ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
CID 727598
4-fluoro-2-(5-fluoro-3-pyridinyl)benzoic acid
CID 54965819
ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate
CID 3713155

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(5-fluoro-3-pyridinyl)thiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-4-(5-fluoro-3-pyridinyl)thiophene-3-carboxylate (CID 114080591) is methyl 2-amino-4-(5-fluoro-3-pyridinyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-(5-fluoro-3-pyridinyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-(5-fluoro-3-pyridinyl)thiophene-3-carboxylate is COC(=O)c1c(-c2cncc(F)c2)csc1N.
What is the InChIKey of methyl 2-amino-4-(5-fluoro-3-pyridinyl)thiophene-3-carboxylate?
The InChIKey is HVCDLICOJVIRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S/c1-16-11(15)9-8(5-17-10(9)13)6-2-7(12)4-14-3-6/h2-5H,13H2,1H3.
What are the key properties of methyl 2-amino-4-(5-fluoro-3-pyridinyl)thiophene-3-carboxylate?
methyl 2-amino-4-(5-fluoro-3-pyridinyl)thiophene-3-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(5-fluoro-3-pyridinyl)thiophene-3-carboxylate is sourced from PubChem (CID 114080591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).