2,4-dichloro-6-fluoropyrimidine

C4HCl2FN2 — CID 597262

IUPAC2,4-dichloro-6-fluoropyrimidine
SMILESFc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C4HCl2FN2/c5-2-1-3(7)9-4(6)8-2/h1H
InChIKeyGACAHZITGJKJAK-UHFFFAOYSA-N
MW166.97 g/mol
LogP1.92
Rot. Bonds

About 2,4-dichloro-6-fluoropyrimidine

2,4-dichloro-6-fluoropyrimidine (PubChem CID 597262) has the molecular formula C4HCl2FN2 and a molecular weight of 166.97 g/mol. Its IUPAC name is 2,4-dichloro-6-fluoropyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-fluoropyrimidine
PubChem CID597262
Molecular FormulaC4HCl2FN2
Molecular Weight166.97 g/mol
Exact Mass165.95
IUPAC Name2,4-dichloro-6-fluoropyrimidine
SMILESFc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C4HCl2FN2/c5-2-1-3(7)9-4(6)8-2/h1H
InChIKeyGACAHZITGJKJAK-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

2-Amino-4,6-dichloropyrimidine
CID 65522
4-Pyrimidinamine, 2,6-dichloro-
CID 82387
2,4-Diamino-6-chloropyrimidine
CID 67432
2,4,6-Trichloropyrimidine
CID 77378
4,6-Dichloro-2-(methylthio)pyrimidine
CID 80531
4,6-Dichloro-2-methylpyrimidine
CID 234997
4,6-Dichloropyrimidine
CID 70943
6-Chloro-2-methylpyrimidin-4-amine
CID 286754
6-Chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 245271
4,6-Dichloro-2-trifluoromethylpyrimidine
CID 15713197
2,4,6-Trifluoropyrimidine
CID 69677
4,6-Dichloro-2-methoxypyrimidine
CID 12052160

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-fluoropyrimidine?
The IUPAC name of 2,4-dichloro-6-fluoropyrimidine (CID 597262) is 2,4-dichloro-6-fluoropyrimidine.
What is the SMILES notation for 2,4-dichloro-6-fluoropyrimidine?
The canonical SMILES for 2,4-dichloro-6-fluoropyrimidine is Fc1cc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-fluoropyrimidine?
The InChIKey is GACAHZITGJKJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl2FN2/c5-2-1-3(7)9-4(6)8-2/h1H.
What are the key properties of 2,4-dichloro-6-fluoropyrimidine?
2,4-dichloro-6-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 2,4-dichloro-6-fluoropyrimidine is sourced from PubChem (CID 597262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).