5-bromo-4-chloro-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine

C10H5BrCl3N3 — CID 79786506

IUPAC5-bromo-4-chloro-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine
SMILESCc1nc(-c2ncc(Cl)cc2Cl)nc(Cl)c1Br
InChIInChI=1S/C10H5BrCl3N3/c1-4-7(11)9(14)17-10(16-4)8-6(13)2-5(12)3-15-8/h2-3H,1H3
InChIKeyLPIGEZSNJXMGGV-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.57
Rot. Bonds1

About 5-bromo-4-chloro-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine

5-bromo-4-chloro-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine (PubChem CID 79786506) has the molecular formula C10H5BrCl3N3 and a molecular weight of 353.43 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine
PubChem CID79786506
Molecular FormulaC10H5BrCl3N3
Molecular Weight353.43 g/mol
Exact Mass350.87
IUPAC Name5-bromo-4-chloro-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine
SMILESCc1nc(-c2ncc(Cl)cc2Cl)nc(Cl)c1Br
InChIInChI=1S/C10H5BrCl3N3/c1-4-7(11)9(14)17-10(16-4)8-6(13)2-5(12)3-15-8/h2-3H,1H3
InChIKeyLPIGEZSNJXMGGV-UHFFFAOYSA-N
XLogP4.57
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine (CID 79786506) is 5-bromo-4-chloro-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine is Cc1nc(-c2ncc(Cl)cc2Cl)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine?
The InChIKey is LPIGEZSNJXMGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl3N3/c1-4-7(11)9(14)17-10(16-4)8-6(13)2-5(12)3-15-8/h2-3H,1H3.
What are the key properties of 5-bromo-4-chloro-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine?
5-bromo-4-chloro-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine has a molecular weight of 353.43 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine is sourced from PubChem (CID 79786506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).