5-(bromomethyl)-2-(2,3-difluorophenoxy)pyrimidine

C11H7BrF2N2O — CID 107088439

IUPAC5-(bromomethyl)-2-(2,3-difluorophenoxy)pyrimidine
SMILESFc1cccc(Oc2ncc(CBr)cn2)c1F
InChIInChI=1S/C11H7BrF2N2O/c12-4-7-5-15-11(16-6-7)17-9-3-1-2-8(13)10(9)14/h1-3,5-6H,4H2
InChIKeyUTJVPPVNMBNSIC-UHFFFAOYSA-N
MW301.09 g/mol
LogP3.44
Rot. Bonds3

About 5-(bromomethyl)-2-(2,3-difluorophenoxy)pyrimidine

5-(bromomethyl)-2-(2,3-difluorophenoxy)pyrimidine (PubChem CID 107088439) has the molecular formula C11H7BrF2N2O and a molecular weight of 301.09 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(2,3-difluorophenoxy)pyrimidine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(2,3-difluorophenoxy)pyrimidine
PubChem CID107088439
Molecular FormulaC11H7BrF2N2O
Molecular Weight301.09 g/mol
Exact Mass299.97
IUPAC Name5-(bromomethyl)-2-(2,3-difluorophenoxy)pyrimidine
SMILESFc1cccc(Oc2ncc(CBr)cn2)c1F
InChIInChI=1S/C11H7BrF2N2O/c12-4-7-5-15-11(16-6-7)17-9-3-1-2-8(13)10(9)14/h1-3,5-6H,4H2
InChIKeyUTJVPPVNMBNSIC-UHFFFAOYSA-N
XLogP3.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.09
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-2-(2,3-difluorophenoxy)-1,3-difluorobenzene
CID 107088431
2-(5-bromo-2-fluorophenoxy)-5-(bromomethyl)pyrimidine
CID 107089324
5-(bromomethyl)-2-(2-phenylphenoxy)pyrimidine
CID 107086555
2-[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]ethanamine
CID 107661759
5-(bromomethyl)-2-(2-fluoro-6-nitrophenoxy)pyrimidine
CID 107089177
[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189525
5-(bromomethyl)-2-(3-chloro-2-fluorophenoxy)pyridine
CID 107089215
1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-N-methylmethanamine
CID 113388358
1-[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189380
[6-(2,3-difluorophenoxy)-5-methyl-3-pyridinyl]methanamine;hydrochloride
CID 157448294
N-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine
CID 107659620
5-(bromomethyl)-2-(3-methoxyphenoxy)pyrimidine
CID 107086798

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(2,3-difluorophenoxy)pyrimidine?
The IUPAC name of 5-(bromomethyl)-2-(2,3-difluorophenoxy)pyrimidine (CID 107088439) is 5-(bromomethyl)-2-(2,3-difluorophenoxy)pyrimidine.
What is the SMILES notation for 5-(bromomethyl)-2-(2,3-difluorophenoxy)pyrimidine?
The canonical SMILES for 5-(bromomethyl)-2-(2,3-difluorophenoxy)pyrimidine is Fc1cccc(Oc2ncc(CBr)cn2)c1F.
What is the InChIKey of 5-(bromomethyl)-2-(2,3-difluorophenoxy)pyrimidine?
The InChIKey is UTJVPPVNMBNSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF2N2O/c12-4-7-5-15-11(16-6-7)17-9-3-1-2-8(13)10(9)14/h1-3,5-6H,4H2.
What are the key properties of 5-(bromomethyl)-2-(2,3-difluorophenoxy)pyrimidine?
5-(bromomethyl)-2-(2,3-difluorophenoxy)pyrimidine has a molecular weight of 301.09 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(2,3-difluorophenoxy)pyrimidine is sourced from PubChem (CID 107088439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).