methyl 4-(5-fluoropyrimidin-2-yl)thiophene-2-carboxylate

C10H7FN2O2S — CID 169144684

IUPACmethyl 4-(5-fluoropyrimidin-2-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2ncc(F)cn2)cs1
InChIInChI=1S/C10H7FN2O2S/c1-15-10(14)8-2-6(5-16-8)9-12-3-7(11)4-13-9/h2-5H,1H3
InChIKeyWDAFCOBKPJZTFM-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.13
Rot. Bonds2

About methyl 4-(5-fluoropyrimidin-2-yl)thiophene-2-carboxylate

methyl 4-(5-fluoropyrimidin-2-yl)thiophene-2-carboxylate (PubChem CID 169144684) has the molecular formula C10H7FN2O2S and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl 4-(5-fluoropyrimidin-2-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-fluoropyrimidin-2-yl)thiophene-2-carboxylate
PubChem CID169144684
Molecular FormulaC10H7FN2O2S
Molecular Weight238.24 g/mol
Exact Mass238.02
IUPAC Namemethyl 4-(5-fluoropyrimidin-2-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2ncc(F)cn2)cs1
InChIInChI=1S/C10H7FN2O2S/c1-15-10(14)8-2-6(5-16-8)9-12-3-7(11)4-13-9/h2-5H,1H3
InChIKeyWDAFCOBKPJZTFM-UHFFFAOYSA-N
XLogP2.13
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-fluoropyrimidin-2-yl)thiophene-2-carboxylate?
The IUPAC name of methyl 4-(5-fluoropyrimidin-2-yl)thiophene-2-carboxylate (CID 169144684) is methyl 4-(5-fluoropyrimidin-2-yl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-(5-fluoropyrimidin-2-yl)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-(5-fluoropyrimidin-2-yl)thiophene-2-carboxylate is COC(=O)c1cc(-c2ncc(F)cn2)cs1.
What is the InChIKey of methyl 4-(5-fluoropyrimidin-2-yl)thiophene-2-carboxylate?
The InChIKey is WDAFCOBKPJZTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2S/c1-15-10(14)8-2-6(5-16-8)9-12-3-7(11)4-13-9/h2-5H,1H3.
What are the key properties of methyl 4-(5-fluoropyrimidin-2-yl)thiophene-2-carboxylate?
methyl 4-(5-fluoropyrimidin-2-yl)thiophene-2-carboxylate has a molecular weight of 238.24 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-fluoropyrimidin-2-yl)thiophene-2-carboxylate is sourced from PubChem (CID 169144684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).