5-bromo-4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]pyrimidine

C11H6BrCl2FN2 — CID 82803143

IUPAC5-bromo-4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]pyrimidine
SMILESFc1c(Cl)cccc1Cc1ncc(Br)c(Cl)n1
InChIInChI=1S/C11H6BrCl2FN2/c12-7-5-16-9(17-11(7)14)4-6-2-1-3-8(13)10(6)15/h1-3,5H,4H2
InChIKeyODGVWHOEHATMOY-UHFFFAOYSA-N
MW335.99 g/mol
LogP4.28
Rot. Bonds2

About 5-bromo-4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]pyrimidine

5-bromo-4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]pyrimidine (PubChem CID 82803143) has the molecular formula C11H6BrCl2FN2 and a molecular weight of 335.99 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]pyrimidine
PubChem CID82803143
Molecular FormulaC11H6BrCl2FN2
Molecular Weight335.99 g/mol
Exact Mass333.91
IUPAC Name5-bromo-4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]pyrimidine
SMILESFc1c(Cl)cccc1Cc1ncc(Br)c(Cl)n1
InChIInChI=1S/C11H6BrCl2FN2/c12-7-5-16-9(17-11(7)14)4-6-2-1-3-8(13)10(6)15/h1-3,5H,4H2
InChIKeyODGVWHOEHATMOY-UHFFFAOYSA-N
XLogP4.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.99
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-4-chloro-2-[(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

(1R)-1-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431246
1-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 82806358
2-[(3-chloro-2-fluorophenyl)methyl]-4-(difluoromethyl)pyrimidine-5-carboxylic acid
CID 82790349
5-bromo-2-chloropyrimidine;2-chloro-5-[(3-chloro-2-fluorophenyl)methyl]pyrimidine
CID 162117437
5-bromo-2-[(4-bromophenyl)methyl]-4-chloropyrimidine
CID 66292644
4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
CID 82802480
2-[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]ethanamine
CID 82807421
1-[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine
CID 82806848
5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoropyridine
CID 58626672
4-[(3-chloro-2-fluorophenyl)methyl]-6-ethyl-1,3,5-triazin-2-amine
CID 82807355
N-[[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]methyl]propan-1-amine
CID 82805536
[2-[(3-chloro-2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]methanamine
CID 82806244

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]pyrimidine (CID 82803143) is 5-bromo-4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]pyrimidine is Fc1c(Cl)cccc1Cc1ncc(Br)c(Cl)n1.
What is the InChIKey of 5-bromo-4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]pyrimidine?
The InChIKey is ODGVWHOEHATMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2FN2/c12-7-5-16-9(17-11(7)14)4-6-2-1-3-8(13)10(6)15/h1-3,5H,4H2.
What are the key properties of 5-bromo-4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]pyrimidine?
5-bromo-4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]pyrimidine has a molecular weight of 335.99 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]pyrimidine is sourced from PubChem (CID 82803143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).