5-chloro-4,6-difluoropyrimidine

C4HClF2N2 — CID 14670781

IUPAC5-chloro-4,6-difluoropyrimidine
SMILESFc1ncnc(F)c1Cl
InChIInChI=1S/C4HClF2N2/c5-2-3(6)8-1-9-4(2)7/h1H
InChIKeyDQNOKARDYNQFLN-UHFFFAOYSA-N
MW150.52 g/mol
LogP1.41
Rot. Bonds

About 5-chloro-4,6-difluoropyrimidine

5-chloro-4,6-difluoropyrimidine (PubChem CID 14670781) has the molecular formula C4HClF2N2 and a molecular weight of 150.52 g/mol. Its IUPAC name is 5-chloro-4,6-difluoropyrimidine.

Molecular Properties

Compound Name5-chloro-4,6-difluoropyrimidine
PubChem CID14670781
Molecular FormulaC4HClF2N2
Molecular Weight150.52 g/mol
Exact Mass149.98
IUPAC Name5-chloro-4,6-difluoropyrimidine
SMILESFc1ncnc(F)c1Cl
InChIInChI=1S/C4HClF2N2/c5-2-3(6)8-1-9-4(2)7/h1H
InChIKeyDQNOKARDYNQFLN-UHFFFAOYSA-N
XLogP1.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.52
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6-Trichloropyrimidine
CID 249007
Pyrimidine, 5-chloro-2,4,6-trifluoro-
CID 69679
4,6-Dichloro-5-fluoropyrimidine
CID 11286675
4,5,6-Trifluoropyrimidine
CID 3572764
2,5-Difluoro-4-chloropyrimidine
CID 13711163
4-Chloro-5-fluoropyrimidine
CID 17893713
2-Chloro-4,5-difluoropyrimidine
CID 18318796
5-Chloro-2,4-difluoropyrimidine
CID 591662
4-Amino-5-chloro-2,6-difluoropyrimidine
CID 22155671
4,6-Difluoropyrimidine-5-carbonitrile
CID 18981198
2,5-Dichloro-4-fluoropyrimidine
CID 19736846
5-Bromo-4,6-difluoropyrimidine
CID 26188909

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,6-difluoropyrimidine?
The IUPAC name of 5-chloro-4,6-difluoropyrimidine (CID 14670781) is 5-chloro-4,6-difluoropyrimidine.
What is the SMILES notation for 5-chloro-4,6-difluoropyrimidine?
The canonical SMILES for 5-chloro-4,6-difluoropyrimidine is Fc1ncnc(F)c1Cl.
What is the InChIKey of 5-chloro-4,6-difluoropyrimidine?
The InChIKey is DQNOKARDYNQFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HClF2N2/c5-2-3(6)8-1-9-4(2)7/h1H.
What are the key properties of 5-chloro-4,6-difluoropyrimidine?
5-chloro-4,6-difluoropyrimidine has a molecular weight of 150.52 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,6-difluoropyrimidine is sourced from PubChem (CID 14670781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).