2-(5-chlorothiophen-2-yl)-5-fluoropyrimidine

C8H4ClFN2S — CID 135122401

IUPAC2-(5-chlorothiophen-2-yl)-5-fluoropyrimidine
SMILESFc1cnc(-c2ccc(Cl)s2)nc1
InChIInChI=1S/C8H4ClFN2S/c9-7-2-1-6(13-7)8-11-3-5(10)4-12-8/h1-4H
InChIKeyRXCNSVVQIHPAJA-UHFFFAOYSA-N
MW214.65 g/mol
LogP3.00
Rot. Bonds1

About 2-(5-chlorothiophen-2-yl)-5-fluoropyrimidine

2-(5-chlorothiophen-2-yl)-5-fluoropyrimidine (PubChem CID 135122401) has the molecular formula C8H4ClFN2S and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-5-fluoropyrimidine
PubChem CID135122401
Molecular FormulaC8H4ClFN2S
Molecular Weight214.65 g/mol
Exact Mass213.98
IUPAC Name2-(5-chlorothiophen-2-yl)-5-fluoropyrimidine
SMILESFc1cnc(-c2ccc(Cl)s2)nc1
InChIInChI=1S/C8H4ClFN2S/c9-7-2-1-6(13-7)8-11-3-5(10)4-12-8/h1-4H
InChIKeyRXCNSVVQIHPAJA-UHFFFAOYSA-N
XLogP3.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-5-fluoropyrimidine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-5-fluoropyrimidine (CID 135122401) is 2-(5-chlorothiophen-2-yl)-5-fluoropyrimidine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-5-fluoropyrimidine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-5-fluoropyrimidine is Fc1cnc(-c2ccc(Cl)s2)nc1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-5-fluoropyrimidine?
The InChIKey is RXCNSVVQIHPAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2S/c9-7-2-1-6(13-7)8-11-3-5(10)4-12-8/h1-4H.
What are the key properties of 2-(5-chlorothiophen-2-yl)-5-fluoropyrimidine?
2-(5-chlorothiophen-2-yl)-5-fluoropyrimidine has a molecular weight of 214.65 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-5-fluoropyrimidine is sourced from PubChem (CID 135122401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).