4,6-dichloro-5-fluoropyrimidine

C4HCl2FN2 — CID 11286675

IUPAC4,6-dichloro-5-fluoropyrimidine
SMILESFc1c(Cl)ncnc1Cl
InChIInChI=1S/C4HCl2FN2/c5-3-2(7)4(6)9-1-8-3/h1H
InChIKeyDGMIGAHDDPJOPN-UHFFFAOYSA-N
MW166.97 g/mol
LogP1.92
Rot. Bonds

About 4,6-dichloro-5-fluoropyrimidine

4,6-dichloro-5-fluoropyrimidine (PubChem CID 11286675) has the molecular formula C4HCl2FN2 and a molecular weight of 166.97 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoropyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoropyrimidine
PubChem CID11286675
Molecular FormulaC4HCl2FN2
Molecular Weight166.97 g/mol
Exact Mass165.95
IUPAC Name4,6-dichloro-5-fluoropyrimidine
SMILESFc1c(Cl)ncnc1Cl
InChIInChI=1S/C4HCl2FN2/c5-3-2(7)4(6)9-1-8-3/h1H
InChIKeyDGMIGAHDDPJOPN-UHFFFAOYSA-N
XLogP1.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.97
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-Dichloro-pyrimidin-4-ylamine
CID 24219262
4,6-Dichloropyrimidine
CID 70943
4,5,6-Trichloropyrimidine
CID 249007
5-Amino-4,6-dichloropyrimidine
CID 79434
Pyrimidine, 5-bromo-4,6-dichloro-
CID 111605
2,4-Dichloro-5-fluoropyrimidine
CID 250705
4,6-Dichloropyrimidine-5-carbonitrile
CID 599371
4,6-Dichloro-5-methylpyrimidine
CID 818860
4,5,6-Trifluoropyrimidine
CID 3572764
2,5-Difluoro-4-chloropyrimidine
CID 13711163
4,6-Dichloro-5-fluoropyrimidin-2-amine
CID 15221577
4-Chloro-5-fluoropyrimidine
CID 17893713

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoropyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoropyrimidine (CID 11286675) is 4,6-dichloro-5-fluoropyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoropyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoropyrimidine is Fc1c(Cl)ncnc1Cl.
What is the InChIKey of 4,6-dichloro-5-fluoropyrimidine?
The InChIKey is DGMIGAHDDPJOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl2FN2/c5-3-2(7)4(6)9-1-8-3/h1H.
What are the key properties of 4,6-dichloro-5-fluoropyrimidine?
4,6-dichloro-5-fluoropyrimidine has a molecular weight of 166.97 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoropyrimidine is sourced from PubChem (CID 11286675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).