2-chloro-4-(4-fluoropyrazol-1-yl)pyrimidine

C7H4ClFN4 — CID 168867295

IUPAC2-chloro-4-(4-fluoropyrazol-1-yl)pyrimidine
SMILESFc1cnn(-c2ccnc(Cl)n2)c1
InChIInChI=1S/C7H4ClFN4/c8-7-10-2-1-6(12-7)13-4-5(9)3-11-13/h1-4H
InChIKeyNACJNOPHPGWCTP-UHFFFAOYSA-N
MW198.59 g/mol
LogP1.45
Rot. Bonds1

About 2-chloro-4-(4-fluoropyrazol-1-yl)pyrimidine

2-chloro-4-(4-fluoropyrazol-1-yl)pyrimidine (PubChem CID 168867295) has the molecular formula C7H4ClFN4 and a molecular weight of 198.59 g/mol. Its IUPAC name is 2-chloro-4-(4-fluoropyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-fluoropyrazol-1-yl)pyrimidine
PubChem CID168867295
Molecular FormulaC7H4ClFN4
Molecular Weight198.59 g/mol
Exact Mass198.01
IUPAC Name2-chloro-4-(4-fluoropyrazol-1-yl)pyrimidine
SMILESFc1cnn(-c2ccnc(Cl)n2)c1
InChIInChI=1S/C7H4ClFN4/c8-7-10-2-1-6(12-7)13-4-5(9)3-11-13/h1-4H
InChIKeyNACJNOPHPGWCTP-UHFFFAOYSA-N
XLogP1.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.59
LogP ≤ 51.45
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-fluoropyrazol-1-yl)pyrimidine?
The IUPAC name of 2-chloro-4-(4-fluoropyrazol-1-yl)pyrimidine (CID 168867295) is 2-chloro-4-(4-fluoropyrazol-1-yl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(4-fluoropyrazol-1-yl)pyrimidine?
The canonical SMILES for 2-chloro-4-(4-fluoropyrazol-1-yl)pyrimidine is Fc1cnn(-c2ccnc(Cl)n2)c1.
What is the InChIKey of 2-chloro-4-(4-fluoropyrazol-1-yl)pyrimidine?
The InChIKey is NACJNOPHPGWCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFN4/c8-7-10-2-1-6(12-7)13-4-5(9)3-11-13/h1-4H.
What are the key properties of 2-chloro-4-(4-fluoropyrazol-1-yl)pyrimidine?
2-chloro-4-(4-fluoropyrazol-1-yl)pyrimidine has a molecular weight of 198.59 g/mol, XLogP of 1.45, 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-fluoropyrazol-1-yl)pyrimidine is sourced from PubChem (CID 168867295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).