2,4-dichloro-5-fluoro-6-thiophen-2-ylpyrimidine

C8H3Cl2FN2S — CID 135394943

IUPAC2,4-dichloro-5-fluoro-6-thiophen-2-ylpyrimidine
SMILESFc1c(Cl)nc(Cl)nc1-c1cccs1
InChIInChI=1S/C8H3Cl2FN2S/c9-7-5(11)6(12-8(10)13-7)4-2-1-3-14-4/h1-3H
InChIKeyPAMPGJWYDBVVKV-UHFFFAOYSA-N
MW249.10 g/mol
LogP3.65
Rot. Bonds1

About 2,4-dichloro-5-fluoro-6-thiophen-2-ylpyrimidine

2,4-dichloro-5-fluoro-6-thiophen-2-ylpyrimidine (PubChem CID 135394943) has the molecular formula C8H3Cl2FN2S and a molecular weight of 249.10 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-6-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-6-thiophen-2-ylpyrimidine
PubChem CID135394943
Molecular FormulaC8H3Cl2FN2S
Molecular Weight249.10 g/mol
Exact Mass247.94
IUPAC Name2,4-dichloro-5-fluoro-6-thiophen-2-ylpyrimidine
SMILESFc1c(Cl)nc(Cl)nc1-c1cccs1
InChIInChI=1S/C8H3Cl2FN2S/c9-7-5(11)6(12-8(10)13-7)4-2-1-3-14-4/h1-3H
InChIKeyPAMPGJWYDBVVKV-UHFFFAOYSA-N
XLogP3.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-6-thiophen-2-ylpyrimidine?
The IUPAC name of 2,4-dichloro-5-fluoro-6-thiophen-2-ylpyrimidine (CID 135394943) is 2,4-dichloro-5-fluoro-6-thiophen-2-ylpyrimidine.
What is the SMILES notation for 2,4-dichloro-5-fluoro-6-thiophen-2-ylpyrimidine?
The canonical SMILES for 2,4-dichloro-5-fluoro-6-thiophen-2-ylpyrimidine is Fc1c(Cl)nc(Cl)nc1-c1cccs1.
What is the InChIKey of 2,4-dichloro-5-fluoro-6-thiophen-2-ylpyrimidine?
The InChIKey is PAMPGJWYDBVVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2FN2S/c9-7-5(11)6(12-8(10)13-7)4-2-1-3-14-4/h1-3H.
What are the key properties of 2,4-dichloro-5-fluoro-6-thiophen-2-ylpyrimidine?
2,4-dichloro-5-fluoro-6-thiophen-2-ylpyrimidine has a molecular weight of 249.10 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-6-thiophen-2-ylpyrimidine is sourced from PubChem (CID 135394943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).