4-chloro-6-fluoropyrimidine

C4H2ClFN2 — CID 583328

IUPAC4-chloro-6-fluoropyrimidine
SMILESFc1cc(Cl)ncn1
InChIInChI=1S/C4H2ClFN2/c5-3-1-4(6)8-2-7-3/h1-2H
InChIKeyDLAFWIYXXOBITQ-UHFFFAOYSA-N
MW132.53 g/mol
LogP1.27
Rot. Bonds

About 4-chloro-6-fluoropyrimidine

4-chloro-6-fluoropyrimidine (PubChem CID 583328) has the molecular formula C4H2ClFN2 and a molecular weight of 132.53 g/mol. Its IUPAC name is 4-chloro-6-fluoropyrimidine.

Molecular Properties

Compound Name4-chloro-6-fluoropyrimidine
PubChem CID583328
Molecular FormulaC4H2ClFN2
Molecular Weight132.53 g/mol
Exact Mass131.99
IUPAC Name4-chloro-6-fluoropyrimidine
SMILESFc1cc(Cl)ncn1
InChIInChI=1S/C4H2ClFN2/c5-3-1-4(6)8-2-7-3/h1-2H
InChIKeyDLAFWIYXXOBITQ-UHFFFAOYSA-N
XLogP1.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.53
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-4,6-dichloropyrimidine
CID 65522
2,4,6-Trichloropyrimidine
CID 77378
2,4-Dichloropyrimidine
CID 77531
4,6-Dichloropyrimidine
CID 70943
4-Amino-6-chloropyrimidine
CID 238012
6-chloro-N-methylpyrimidin-4-amine
CID 309479
4-Chloropyrimidine
CID 642834
2,4-Dichloro-5-fluoropyrimidine
CID 250705
4-Chloropyrimidine-2-carbonitrile
CID 45787493
2-Amino-4-chloropyrimidine
CID 223332
6-chloro-N,N-dimethylpyrimidin-4-amine
CID 13869568
4,6-Dichloro-5-fluoropyrimidine
CID 11286675

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoropyrimidine?
The IUPAC name of 4-chloro-6-fluoropyrimidine (CID 583328) is 4-chloro-6-fluoropyrimidine.
What is the SMILES notation for 4-chloro-6-fluoropyrimidine?
The canonical SMILES for 4-chloro-6-fluoropyrimidine is Fc1cc(Cl)ncn1.
What is the InChIKey of 4-chloro-6-fluoropyrimidine?
The InChIKey is DLAFWIYXXOBITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClFN2/c5-3-1-4(6)8-2-7-3/h1-2H.
What are the key properties of 4-chloro-6-fluoropyrimidine?
4-chloro-6-fluoropyrimidine has a molecular weight of 132.53 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoropyrimidine is sourced from PubChem (CID 583328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).