4-chloro-6-(3-chloro-5-fluorophenyl)pyrimidine

C10H5Cl2FN2 — CID 24902118

IUPAC4-chloro-6-(3-chloro-5-fluorophenyl)pyrimidine
SMILESFc1cc(Cl)cc(-c2cc(Cl)ncn2)c1
InChIInChI=1S/C10H5Cl2FN2/c11-7-1-6(2-8(13)3-7)9-4-10(12)15-5-14-9/h1-5H
InChIKeySFPQJEKAVIVUCQ-UHFFFAOYSA-N
MW243.07 g/mol
LogP3.59
Rot. Bonds1

About 4-chloro-6-(3-chloro-5-fluorophenyl)pyrimidine

4-chloro-6-(3-chloro-5-fluorophenyl)pyrimidine (PubChem CID 24902118) has the molecular formula C10H5Cl2FN2 and a molecular weight of 243.07 g/mol. Its IUPAC name is 4-chloro-6-(3-chloro-5-fluorophenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-chloro-5-fluorophenyl)pyrimidine
PubChem CID24902118
Molecular FormulaC10H5Cl2FN2
Molecular Weight243.07 g/mol
Exact Mass241.98
IUPAC Name4-chloro-6-(3-chloro-5-fluorophenyl)pyrimidine
SMILESFc1cc(Cl)cc(-c2cc(Cl)ncn2)c1
InChIInChI=1S/C10H5Cl2FN2/c11-7-1-6(2-8(13)3-7)9-4-10(12)15-5-14-9/h1-5H
InChIKeySFPQJEKAVIVUCQ-UHFFFAOYSA-N
XLogP3.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.07
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-chloro-5-fluorophenyl)pyrimidine?
The IUPAC name of 4-chloro-6-(3-chloro-5-fluorophenyl)pyrimidine (CID 24902118) is 4-chloro-6-(3-chloro-5-fluorophenyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(3-chloro-5-fluorophenyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(3-chloro-5-fluorophenyl)pyrimidine is Fc1cc(Cl)cc(-c2cc(Cl)ncn2)c1.
What is the InChIKey of 4-chloro-6-(3-chloro-5-fluorophenyl)pyrimidine?
The InChIKey is SFPQJEKAVIVUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2FN2/c11-7-1-6(2-8(13)3-7)9-4-10(12)15-5-14-9/h1-5H.
What are the key properties of 4-chloro-6-(3-chloro-5-fluorophenyl)pyrimidine?
4-chloro-6-(3-chloro-5-fluorophenyl)pyrimidine has a molecular weight of 243.07 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-chloro-5-fluorophenyl)pyrimidine is sourced from PubChem (CID 24902118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).