4-chloro-6-(difluoromethoxy)pyrimidine

C5H3ClF2N2O — CID 19876370

IUPAC4-chloro-6-(difluoromethoxy)pyrimidine
SMILESFC(F)Oc1cc(Cl)ncn1
InChIInChI=1S/C5H3ClF2N2O/c6-3-1-4(10-2-9-3)11-5(7)8/h1-2,5H
InChIKeyVZPWRSCHKHLDLD-UHFFFAOYSA-N
MW180.54 g/mol
LogP1.73
Rot. Bonds2

About 4-chloro-6-(difluoromethoxy)pyrimidine

4-chloro-6-(difluoromethoxy)pyrimidine (PubChem CID 19876370) has the molecular formula C5H3ClF2N2O and a molecular weight of 180.54 g/mol. Its IUPAC name is 4-chloro-6-(difluoromethoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(difluoromethoxy)pyrimidine
PubChem CID19876370
Molecular FormulaC5H3ClF2N2O
Molecular Weight180.54 g/mol
Exact Mass179.99
IUPAC Name4-chloro-6-(difluoromethoxy)pyrimidine
SMILESFC(F)Oc1cc(Cl)ncn1
InChIInChI=1S/C5H3ClF2N2O/c6-3-1-4(10-2-9-3)11-5(7)8/h1-2,5H
InChIKeyVZPWRSCHKHLDLD-UHFFFAOYSA-N
XLogP1.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.54
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(difluoromethoxy)pyrimidine?
The IUPAC name of 4-chloro-6-(difluoromethoxy)pyrimidine (CID 19876370) is 4-chloro-6-(difluoromethoxy)pyrimidine.
What is the SMILES notation for 4-chloro-6-(difluoromethoxy)pyrimidine?
The canonical SMILES for 4-chloro-6-(difluoromethoxy)pyrimidine is FC(F)Oc1cc(Cl)ncn1.
What is the InChIKey of 4-chloro-6-(difluoromethoxy)pyrimidine?
The InChIKey is VZPWRSCHKHLDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF2N2O/c6-3-1-4(10-2-9-3)11-5(7)8/h1-2,5H.
What are the key properties of 4-chloro-6-(difluoromethoxy)pyrimidine?
4-chloro-6-(difluoromethoxy)pyrimidine has a molecular weight of 180.54 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(difluoromethoxy)pyrimidine is sourced from PubChem (CID 19876370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).