5-(3-bromophenyl)-4,6-dichloro-2-pyridin-3-ylpyrimidine

C15H8BrCl2N3 — CID 79431669

IUPAC5-(3-bromophenyl)-4,6-dichloro-2-pyridin-3-ylpyrimidine
SMILESClc1nc(-c2cccnc2)nc(Cl)c1-c1cccc(Br)c1
InChIInChI=1S/C15H8BrCl2N3/c16-11-5-1-3-9(7-11)12-13(17)20-15(21-14(12)18)10-4-2-6-19-8-10/h1-8H
InChIKeyNONGCRZMRXNNRV-UHFFFAOYSA-N
MW381.06 g/mol
LogP5.27
Rot. Bonds2

About 5-(3-bromophenyl)-4,6-dichloro-2-pyridin-3-ylpyrimidine

5-(3-bromophenyl)-4,6-dichloro-2-pyridin-3-ylpyrimidine (PubChem CID 79431669) has the molecular formula C15H8BrCl2N3 and a molecular weight of 381.06 g/mol. Its IUPAC name is 5-(3-bromophenyl)-4,6-dichloro-2-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name5-(3-bromophenyl)-4,6-dichloro-2-pyridin-3-ylpyrimidine
PubChem CID79431669
Molecular FormulaC15H8BrCl2N3
Molecular Weight381.06 g/mol
Exact Mass378.93
IUPAC Name5-(3-bromophenyl)-4,6-dichloro-2-pyridin-3-ylpyrimidine
SMILESClc1nc(-c2cccnc2)nc(Cl)c1-c1cccc(Br)c1
InChIInChI=1S/C15H8BrCl2N3/c16-11-5-1-3-9(7-11)12-13(17)20-15(21-14(12)18)10-4-2-6-19-8-10/h1-8H
InChIKeyNONGCRZMRXNNRV-UHFFFAOYSA-N
XLogP5.27
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.06
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-4,6-dichloro-2-pyridin-3-ylpyrimidine?
The IUPAC name of 5-(3-bromophenyl)-4,6-dichloro-2-pyridin-3-ylpyrimidine (CID 79431669) is 5-(3-bromophenyl)-4,6-dichloro-2-pyridin-3-ylpyrimidine.
What is the SMILES notation for 5-(3-bromophenyl)-4,6-dichloro-2-pyridin-3-ylpyrimidine?
The canonical SMILES for 5-(3-bromophenyl)-4,6-dichloro-2-pyridin-3-ylpyrimidine is Clc1nc(-c2cccnc2)nc(Cl)c1-c1cccc(Br)c1.
What is the InChIKey of 5-(3-bromophenyl)-4,6-dichloro-2-pyridin-3-ylpyrimidine?
The InChIKey is NONGCRZMRXNNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrCl2N3/c16-11-5-1-3-9(7-11)12-13(17)20-15(21-14(12)18)10-4-2-6-19-8-10/h1-8H.
What are the key properties of 5-(3-bromophenyl)-4,6-dichloro-2-pyridin-3-ylpyrimidine?
5-(3-bromophenyl)-4,6-dichloro-2-pyridin-3-ylpyrimidine has a molecular weight of 381.06 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-4,6-dichloro-2-pyridin-3-ylpyrimidine is sourced from PubChem (CID 79431669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).