5-chloro-4-(1-fluoroprop-2-enyl)pyrimidine

C7H6ClFN2 — CID 70167364

IUPAC5-chloro-4-(1-fluoroprop-2-enyl)pyrimidine
SMILESC=CC(F)c1ncncc1Cl
InChIInChI=1S/C7H6ClFN2/c1-2-6(9)7-5(8)3-10-4-11-7/h2-4,6H,1H2
InChIKeyGKYADQVNKIOEJN-UHFFFAOYSA-N
MW172.59 g/mol
LogP2.33
Rot. Bonds2

About 5-chloro-4-(1-fluoroprop-2-enyl)pyrimidine

5-chloro-4-(1-fluoroprop-2-enyl)pyrimidine (PubChem CID 70167364) has the molecular formula C7H6ClFN2 and a molecular weight of 172.59 g/mol. Its IUPAC name is 5-chloro-4-(1-fluoroprop-2-enyl)pyrimidine.

Molecular Properties

Compound Name5-chloro-4-(1-fluoroprop-2-enyl)pyrimidine
PubChem CID70167364
Molecular FormulaC7H6ClFN2
Molecular Weight172.59 g/mol
Exact Mass172.02
IUPAC Name5-chloro-4-(1-fluoroprop-2-enyl)pyrimidine
SMILESC=CC(F)c1ncncc1Cl
InChIInChI=1S/C7H6ClFN2/c1-2-6(9)7-5(8)3-10-4-11-7/h2-4,6H,1H2
InChIKeyGKYADQVNKIOEJN-UHFFFAOYSA-N
XLogP2.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.59
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(1-fluoroprop-2-enyl)pyrimidine?
The IUPAC name of 5-chloro-4-(1-fluoroprop-2-enyl)pyrimidine (CID 70167364) is 5-chloro-4-(1-fluoroprop-2-enyl)pyrimidine.
What is the SMILES notation for 5-chloro-4-(1-fluoroprop-2-enyl)pyrimidine?
The canonical SMILES for 5-chloro-4-(1-fluoroprop-2-enyl)pyrimidine is C=CC(F)c1ncncc1Cl.
What is the InChIKey of 5-chloro-4-(1-fluoroprop-2-enyl)pyrimidine?
The InChIKey is GKYADQVNKIOEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFN2/c1-2-6(9)7-5(8)3-10-4-11-7/h2-4,6H,1H2.
What are the key properties of 5-chloro-4-(1-fluoroprop-2-enyl)pyrimidine?
5-chloro-4-(1-fluoroprop-2-enyl)pyrimidine has a molecular weight of 172.59 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(1-fluoroprop-2-enyl)pyrimidine is sourced from PubChem (CID 70167364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).