4-chloro-2-(difluoromethyl)pyrimidine

C5H3ClF2N2 — CID 118833547

IUPAC4-chloro-2-(difluoromethyl)pyrimidine
SMILESFC(F)c1nccc(Cl)n1
InChIInChI=1S/C5H3ClF2N2/c6-3-1-2-9-5(10-3)4(7)8/h1-2,4H
InChIKeyHCASAEYDLMXRED-UHFFFAOYSA-N
MW164.54 g/mol
LogP2.07
Rot. Bonds1

About 4-chloro-2-(difluoromethyl)pyrimidine

4-chloro-2-(difluoromethyl)pyrimidine (PubChem CID 118833547) has the molecular formula C5H3ClF2N2 and a molecular weight of 164.54 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)pyrimidine
PubChem CID118833547
Molecular FormulaC5H3ClF2N2
Molecular Weight164.54 g/mol
Exact Mass164.00
IUPAC Name4-chloro-2-(difluoromethyl)pyrimidine
SMILESFC(F)c1nccc(Cl)n1
InChIInChI=1S/C5H3ClF2N2/c6-3-1-2-9-5(10-3)4(7)8/h1-2,4H
InChIKeyHCASAEYDLMXRED-UHFFFAOYSA-N
XLogP2.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.54
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-2-(difluoromethyl)pyrimidine (CID 118833547) is 4-chloro-2-(difluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(difluoromethyl)pyrimidine is FC(F)c1nccc(Cl)n1.
What is the InChIKey of 4-chloro-2-(difluoromethyl)pyrimidine?
The InChIKey is HCASAEYDLMXRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF2N2/c6-3-1-2-9-5(10-3)4(7)8/h1-2,4H.
What are the key properties of 4-chloro-2-(difluoromethyl)pyrimidine?
4-chloro-2-(difluoromethyl)pyrimidine has a molecular weight of 164.54 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethyl)pyrimidine is sourced from PubChem (CID 118833547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).