5-bromo-2-(1,1-difluoroethyl)pyrimidine

C6H5BrF2N2 — CID 86716009

IUPAC5-bromo-2-(1,1-difluoroethyl)pyrimidine
SMILESCC(F)(F)c1ncc(Br)cn1
InChIInChI=1S/C6H5BrF2N2/c1-6(8,9)5-10-2-4(7)3-11-5/h2-3H,1H3
InChIKeyIDNBKRRQWMDWTL-UHFFFAOYSA-N
MW223.02 g/mol
LogP2.35
Rot. Bonds1

About 5-bromo-2-(1,1-difluoroethyl)pyrimidine

5-bromo-2-(1,1-difluoroethyl)pyrimidine (PubChem CID 86716009) has the molecular formula C6H5BrF2N2 and a molecular weight of 223.02 g/mol. Its IUPAC name is 5-bromo-2-(1,1-difluoroethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(1,1-difluoroethyl)pyrimidine
PubChem CID86716009
Molecular FormulaC6H5BrF2N2
Molecular Weight223.02 g/mol
Exact Mass221.96
IUPAC Name5-bromo-2-(1,1-difluoroethyl)pyrimidine
SMILESCC(F)(F)c1ncc(Br)cn1
InChIInChI=1S/C6H5BrF2N2/c1-6(8,9)5-10-2-4(7)3-11-5/h2-3H,1H3
InChIKeyIDNBKRRQWMDWTL-UHFFFAOYSA-N
XLogP2.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.02
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromopyrimidine
CID 78344
5-Fluoropyrimidine
CID 69605
2-Amino-5-bromopyrimidine
CID 231310
4-Amino-5-bromopyrimidine
CID 10261576
5-Bromo-2-chloropyrimidine
CID 606665
5-Bromo-2-(methylsulfanyl)pyrimidine
CID 4738564
5-Bromopyrimidine-2-carbonitrile
CID 686546
5-Fluoropyrimidine-2-carbonitrile
CID 44181867
Pyrimidine, 5-bromo-2-methoxy-
CID 139657
5-Bromo-N-methylpyrimidin-2-amine
CID 13098184
5-(Trifluoromethyl)pyrimidine
CID 15273573
5-Bromo-2-ethoxypyrimidine
CID 16427141

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1,1-difluoroethyl)pyrimidine?
The IUPAC name of 5-bromo-2-(1,1-difluoroethyl)pyrimidine (CID 86716009) is 5-bromo-2-(1,1-difluoroethyl)pyrimidine.
What is the SMILES notation for 5-bromo-2-(1,1-difluoroethyl)pyrimidine?
The canonical SMILES for 5-bromo-2-(1,1-difluoroethyl)pyrimidine is CC(F)(F)c1ncc(Br)cn1.
What is the InChIKey of 5-bromo-2-(1,1-difluoroethyl)pyrimidine?
The InChIKey is IDNBKRRQWMDWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2N2/c1-6(8,9)5-10-2-4(7)3-11-5/h2-3H,1H3.
What are the key properties of 5-bromo-2-(1,1-difluoroethyl)pyrimidine?
5-bromo-2-(1,1-difluoroethyl)pyrimidine has a molecular weight of 223.02 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1,1-difluoroethyl)pyrimidine is sourced from PubChem (CID 86716009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).