5-bromo-2-chloropyrimidine;2-chloro-5-[(3-chloro-2-fluorophenyl)methyl]pyrimidine

C15H9BrCl3FN4 — CID 162117437

IUPAC5-bromo-2-chloropyrimidine;2-chloro-5-[(3-chloro-2-fluorophenyl)methyl]pyrimidine
SMILESClc1ncc(Br)cn1.Fc1c(Cl)cccc1Cc1cnc(Cl)nc1
InChIInChI=1S/C11H7Cl2FN2.C4H2BrClN2/c12-9-3-1-2-8(10(9)14)4-7-5-15-11(13)16-6-7;5-3-1-7-4(6)8-2-3/h1-3,5-6H,4H2;1-2H
InChIKeyZGYMJKZWFLTRBN-UHFFFAOYSA-N
MW450.53 g/mol
LogP5.41
Rot. Bonds2

About 5-bromo-2-chloropyrimidine;2-chloro-5-[(3-chloro-2-fluorophenyl)methyl]pyrimidine

5-bromo-2-chloropyrimidine;2-chloro-5-[(3-chloro-2-fluorophenyl)methyl]pyrimidine (PubChem CID 162117437) has the molecular formula C15H9BrCl3FN4 and a molecular weight of 450.53 g/mol. Its IUPAC name is 5-bromo-2-chloropyrimidine;2-chloro-5-[(3-chloro-2-fluorophenyl)methyl]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloropyrimidine;2-chloro-5-[(3-chloro-2-fluorophenyl)methyl]pyrimidine
PubChem CID162117437
Molecular FormulaC15H9BrCl3FN4
Molecular Weight450.53 g/mol
Exact Mass447.91
IUPAC Name5-bromo-2-chloropyrimidine;2-chloro-5-[(3-chloro-2-fluorophenyl)methyl]pyrimidine
SMILESClc1ncc(Br)cn1.Fc1c(Cl)cccc1Cc1cnc(Cl)nc1
InChIInChI=1S/C11H7Cl2FN2.C4H2BrClN2/c12-9-3-1-2-8(10(9)14)4-7-5-15-11(13)16-6-7;5-3-1-7-4(6)8-2-3/h1-3,5-6H,4H2;1-2H
InChIKeyZGYMJKZWFLTRBN-UHFFFAOYSA-N
XLogP5.41
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.53
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-chloropyrimidine;2-chloro-5-[(3-chloro-2-fluorophenyl)methyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoropyridine
CID 58626672
5-bromo-4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]pyrimidine
CID 82803143
5-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-1,3-oxazole
CID 90396876
5-bromo-1-[(3-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 107098749
[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82806898
1-chloro-3-(3-chloropropyl)-2-fluorobenzene
CID 53434110
5-[(3-chloro-2-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole
CID 90395034
2-bromo-3-[(3-chloro-2-fluorophenyl)methoxy]pyridine
CID 103695221
1-chloro-3-(4-chlorobutyl)-2-fluorobenzene
CID 102862230
1-(5-bromo-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 102857803
2-(5-bromo-2-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 104798934
6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 58334723

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloropyrimidine;2-chloro-5-[(3-chloro-2-fluorophenyl)methyl]pyrimidine?
The IUPAC name of 5-bromo-2-chloropyrimidine;2-chloro-5-[(3-chloro-2-fluorophenyl)methyl]pyrimidine (CID 162117437) is 5-bromo-2-chloropyrimidine;2-chloro-5-[(3-chloro-2-fluorophenyl)methyl]pyrimidine.
What is the SMILES notation for 5-bromo-2-chloropyrimidine;2-chloro-5-[(3-chloro-2-fluorophenyl)methyl]pyrimidine?
The canonical SMILES for 5-bromo-2-chloropyrimidine;2-chloro-5-[(3-chloro-2-fluorophenyl)methyl]pyrimidine is Clc1ncc(Br)cn1.Fc1c(Cl)cccc1Cc1cnc(Cl)nc1.
What is the InChIKey of 5-bromo-2-chloropyrimidine;2-chloro-5-[(3-chloro-2-fluorophenyl)methyl]pyrimidine?
The InChIKey is ZGYMJKZWFLTRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2.C4H2BrClN2/c12-9-3-1-2-8(10(9)14)4-7-5-15-11(13)16-6-7;5-3-1-7-4(6)8-2-3/h1-3,5-6H,4H2;1-2H.
What are the key properties of 5-bromo-2-chloropyrimidine;2-chloro-5-[(3-chloro-2-fluorophenyl)methyl]pyrimidine?
5-bromo-2-chloropyrimidine;2-chloro-5-[(3-chloro-2-fluorophenyl)methyl]pyrimidine has a molecular weight of 450.53 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloropyrimidine;2-chloro-5-[(3-chloro-2-fluorophenyl)methyl]pyrimidine is sourced from PubChem (CID 162117437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).