2-(2-bromo-3,4-difluorophenyl)pyrimidine-5-carbaldehyde

C11H5BrF2N2O — CID 107540897

IUPAC2-(2-bromo-3,4-difluorophenyl)pyrimidine-5-carbaldehyde
SMILESO=Cc1cnc(-c2ccc(F)c(F)c2Br)nc1
InChIInChI=1S/C11H5BrF2N2O/c12-9-7(1-2-8(13)10(9)14)11-15-3-6(5-17)4-16-11/h1-5H
InChIKeyINMUZKKUFPJBGG-UHFFFAOYSA-N
MW299.07 g/mol
LogP3.00
Rot. Bonds2

About 2-(2-bromo-3,4-difluorophenyl)pyrimidine-5-carbaldehyde

2-(2-bromo-3,4-difluorophenyl)pyrimidine-5-carbaldehyde (PubChem CID 107540897) has the molecular formula C11H5BrF2N2O and a molecular weight of 299.07 g/mol. Its IUPAC name is 2-(2-bromo-3,4-difluorophenyl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-(2-bromo-3,4-difluorophenyl)pyrimidine-5-carbaldehyde
PubChem CID107540897
Molecular FormulaC11H5BrF2N2O
Molecular Weight299.07 g/mol
Exact Mass297.96
IUPAC Name2-(2-bromo-3,4-difluorophenyl)pyrimidine-5-carbaldehyde
SMILESO=Cc1cnc(-c2ccc(F)c(F)c2Br)nc1
InChIInChI=1S/C11H5BrF2N2O/c12-9-7(1-2-8(13)10(9)14)11-15-3-6(5-17)4-16-11/h1-5H
InChIKeyINMUZKKUFPJBGG-UHFFFAOYSA-N
XLogP3.00
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.07
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-3,4-difluorophenyl)pyrimidine-4-carbaldehyde
CID 107540895
N-[[2-(2-bromo-3,4-difluorophenyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 107540920
5-bromo-2-(2-bromo-3,4-difluorophenyl)pyrimidin-4-amine
CID 107539770
4,6-dibromo-2-(2-bromo-3,4-difluorophenyl)pyrimidine
CID 107537902
1-[2-(2-bromo-3,4-difluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 107540932
methyl 4-amino-2-(2-bromo-3,4-difluorophenyl)pyrimidine-5-carboxylate
CID 107541127
2-(5-fluoro-2-pyridinyl)pyrimidine-5-carbaldehyde
CID 79717980
2-[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 107537161
3-bromo-2,4-difluorobenzaldehyde
CID 74891957
3-fluoro-4-(2,3,4-trifluorophenyl)benzaldehyde
CID 81448027
4-(2-bromo-3,4-difluorophenyl)-1,2-oxazol-5-amine
CID 117439381
3-(2-bromo-3,4-difluorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 107541096

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3,4-difluorophenyl)pyrimidine-5-carbaldehyde?
The IUPAC name of 2-(2-bromo-3,4-difluorophenyl)pyrimidine-5-carbaldehyde (CID 107540897) is 2-(2-bromo-3,4-difluorophenyl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-(2-bromo-3,4-difluorophenyl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-(2-bromo-3,4-difluorophenyl)pyrimidine-5-carbaldehyde is O=Cc1cnc(-c2ccc(F)c(F)c2Br)nc1.
What is the InChIKey of 2-(2-bromo-3,4-difluorophenyl)pyrimidine-5-carbaldehyde?
The InChIKey is INMUZKKUFPJBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF2N2O/c12-9-7(1-2-8(13)10(9)14)11-15-3-6(5-17)4-16-11/h1-5H.
What are the key properties of 2-(2-bromo-3,4-difluorophenyl)pyrimidine-5-carbaldehyde?
2-(2-bromo-3,4-difluorophenyl)pyrimidine-5-carbaldehyde has a molecular weight of 299.07 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3,4-difluorophenyl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 107540897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).