5-chloro-8-fluoropyrido[4,3-d]pyrimidine

C7H3ClFN3 — CID 167294060

IUPAC5-chloro-8-fluoropyrido[4,3-d]pyrimidine
SMILESFc1cnc(Cl)c2cncnc12
InChIInChI=1S/C7H3ClFN3/c8-7-4-1-10-3-12-6(4)5(9)2-11-7/h1-3H
InChIKeyCURICAYGJSFDTB-UHFFFAOYSA-N
MW183.57 g/mol
LogP1.82
Rot. Bonds

About 5-chloro-8-fluoropyrido[4,3-d]pyrimidine

5-chloro-8-fluoropyrido[4,3-d]pyrimidine (PubChem CID 167294060) has the molecular formula C7H3ClFN3 and a molecular weight of 183.57 g/mol. Its IUPAC name is 5-chloro-8-fluoropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name5-chloro-8-fluoropyrido[4,3-d]pyrimidine
PubChem CID167294060
Molecular FormulaC7H3ClFN3
Molecular Weight183.57 g/mol
Exact Mass183.00
IUPAC Name5-chloro-8-fluoropyrido[4,3-d]pyrimidine
SMILESFc1cnc(Cl)c2cncnc12
InChIInChI=1S/C7H3ClFN3/c8-7-4-1-10-3-12-6(4)5(9)2-11-7/h1-3H
InChIKeyCURICAYGJSFDTB-UHFFFAOYSA-N
XLogP1.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.57
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-fluoropyrido[4,3-d]pyrimidine?
The IUPAC name of 5-chloro-8-fluoropyrido[4,3-d]pyrimidine (CID 167294060) is 5-chloro-8-fluoropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 5-chloro-8-fluoropyrido[4,3-d]pyrimidine?
The canonical SMILES for 5-chloro-8-fluoropyrido[4,3-d]pyrimidine is Fc1cnc(Cl)c2cncnc12.
What is the InChIKey of 5-chloro-8-fluoropyrido[4,3-d]pyrimidine?
The InChIKey is CURICAYGJSFDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFN3/c8-7-4-1-10-3-12-6(4)5(9)2-11-7/h1-3H.
What are the key properties of 5-chloro-8-fluoropyrido[4,3-d]pyrimidine?
5-chloro-8-fluoropyrido[4,3-d]pyrimidine has a molecular weight of 183.57 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-fluoropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 167294060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).