2-chloro-4-(4-chloro-3-methylpyrazol-1-yl)-5-fluoropyrimidine

C8H5Cl2FN4 — CID 79076106

IUPAC2-chloro-4-(4-chloro-3-methylpyrazol-1-yl)-5-fluoropyrimidine
SMILESCc1nn(-c2nc(Cl)ncc2F)cc1Cl
InChIInChI=1S/C8H5Cl2FN4/c1-4-5(9)3-15(14-4)7-6(11)2-12-8(10)13-7/h2-3H,1H3
InChIKeyHHWFLRABXZBPDD-UHFFFAOYSA-N
MW247.06 g/mol
LogP2.42
Rot. Bonds1

About 2-chloro-4-(4-chloro-3-methylpyrazol-1-yl)-5-fluoropyrimidine

2-chloro-4-(4-chloro-3-methylpyrazol-1-yl)-5-fluoropyrimidine (PubChem CID 79076106) has the molecular formula C8H5Cl2FN4 and a molecular weight of 247.06 g/mol. Its IUPAC name is 2-chloro-4-(4-chloro-3-methylpyrazol-1-yl)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-chloro-3-methylpyrazol-1-yl)-5-fluoropyrimidine
PubChem CID79076106
Molecular FormulaC8H5Cl2FN4
Molecular Weight247.06 g/mol
Exact Mass245.99
IUPAC Name2-chloro-4-(4-chloro-3-methylpyrazol-1-yl)-5-fluoropyrimidine
SMILESCc1nn(-c2nc(Cl)ncc2F)cc1Cl
InChIInChI=1S/C8H5Cl2FN4/c1-4-5(9)3-15(14-4)7-6(11)2-12-8(10)13-7/h2-3H,1H3
InChIKeyHHWFLRABXZBPDD-UHFFFAOYSA-N
XLogP2.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chloro-3-methylpyrazol-1-yl)-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-(4-chloro-3-methylpyrazol-1-yl)-5-fluoropyrimidine (CID 79076106) is 2-chloro-4-(4-chloro-3-methylpyrazol-1-yl)-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-(4-chloro-3-methylpyrazol-1-yl)-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-(4-chloro-3-methylpyrazol-1-yl)-5-fluoropyrimidine is Cc1nn(-c2nc(Cl)ncc2F)cc1Cl.
What is the InChIKey of 2-chloro-4-(4-chloro-3-methylpyrazol-1-yl)-5-fluoropyrimidine?
The InChIKey is HHWFLRABXZBPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2FN4/c1-4-5(9)3-15(14-4)7-6(11)2-12-8(10)13-7/h2-3H,1H3.
What are the key properties of 2-chloro-4-(4-chloro-3-methylpyrazol-1-yl)-5-fluoropyrimidine?
2-chloro-4-(4-chloro-3-methylpyrazol-1-yl)-5-fluoropyrimidine has a molecular weight of 247.06 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chloro-3-methylpyrazol-1-yl)-5-fluoropyrimidine is sourced from PubChem (CID 79076106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).