2-(3-bromo-4-fluorophenyl)-5-(chloromethyl)pyrimidine

C11H7BrClFN2 — CID 82802858

IUPAC2-(3-bromo-4-fluorophenyl)-5-(chloromethyl)pyrimidine
SMILESFc1ccc(-c2ncc(CCl)cn2)cc1Br
InChIInChI=1S/C11H7BrClFN2/c12-9-3-8(1-2-10(9)14)11-15-5-7(4-13)6-16-11/h1-3,5-6H,4H2
InChIKeyNOZMIDLKDMVTBP-UHFFFAOYSA-N
MW301.55 g/mol
LogP3.78
Rot. Bonds2

About 2-(3-bromo-4-fluorophenyl)-5-(chloromethyl)pyrimidine

2-(3-bromo-4-fluorophenyl)-5-(chloromethyl)pyrimidine (PubChem CID 82802858) has the molecular formula C11H7BrClFN2 and a molecular weight of 301.55 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-5-(chloromethyl)pyrimidine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-5-(chloromethyl)pyrimidine
PubChem CID82802858
Molecular FormulaC11H7BrClFN2
Molecular Weight301.55 g/mol
Exact Mass299.95
IUPAC Name2-(3-bromo-4-fluorophenyl)-5-(chloromethyl)pyrimidine
SMILESFc1ccc(-c2ncc(CCl)cn2)cc1Br
InChIInChI=1S/C11H7BrClFN2/c12-9-3-8(1-2-10(9)14)11-15-5-7(4-13)6-16-11/h1-3,5-6H,4H2
InChIKeyNOZMIDLKDMVTBP-UHFFFAOYSA-N
XLogP3.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.55
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]methanamine
CID 82802967
1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]-N-methylmethanamine
CID 82802968
1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]propan-2-amine
CID 82803660
5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloropyrimidine
CID 82809152
2-(3-bromo-4-fluorophenyl)-1,3,5-triazine
CID 82481921
[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]methanol
CID 63086692
2-[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]ethanamine
CID 63087706
2-(3-bromo-4-fluorophenyl)-4-chloro-6-phenylpyrimidine
CID 82790034
1-[2-(3-bromo-4-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine
CID 113337352
[2-(3-bromo-4-methylphenyl)pyrimidin-5-yl]methanamine
CID 107915560
5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine
CID 62756442
2-(3-bromo-4-fluorophenyl)-5-methylpyrimidine-4-carboxylic acid
CID 114245006

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-5-(chloromethyl)pyrimidine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-5-(chloromethyl)pyrimidine (CID 82802858) is 2-(3-bromo-4-fluorophenyl)-5-(chloromethyl)pyrimidine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-5-(chloromethyl)pyrimidine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-5-(chloromethyl)pyrimidine is Fc1ccc(-c2ncc(CCl)cn2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-5-(chloromethyl)pyrimidine?
The InChIKey is NOZMIDLKDMVTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2/c12-9-3-8(1-2-10(9)14)11-15-5-7(4-13)6-16-11/h1-3,5-6H,4H2.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-5-(chloromethyl)pyrimidine?
2-(3-bromo-4-fluorophenyl)-5-(chloromethyl)pyrimidine has a molecular weight of 301.55 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-5-(chloromethyl)pyrimidine is sourced from PubChem (CID 82802858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).