4-chloro-6-fluoropyrido[3,4-d]pyrimidine

C7H3ClFN3 — CID 10679041

IUPAC4-chloro-6-fluoropyrido[3,4-d]pyrimidine
SMILESFc1cc2c(Cl)ncnc2cn1
InChIInChI=1S/C7H3ClFN3/c8-7-4-1-6(9)10-2-5(4)11-3-12-7/h1-3H
InChIKeyMGWFUQALPUPAER-UHFFFAOYSA-N
MW183.57 g/mol
LogP1.82
Rot. Bonds

About 4-chloro-6-fluoropyrido[3,4-d]pyrimidine

4-chloro-6-fluoropyrido[3,4-d]pyrimidine (PubChem CID 10679041) has the molecular formula C7H3ClFN3 and a molecular weight of 183.57 g/mol. Its IUPAC name is 4-chloro-6-fluoropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-fluoropyrido[3,4-d]pyrimidine
PubChem CID10679041
Molecular FormulaC7H3ClFN3
Molecular Weight183.57 g/mol
Exact Mass183.00
IUPAC Name4-chloro-6-fluoropyrido[3,4-d]pyrimidine
SMILESFc1cc2c(Cl)ncnc2cn1
InChIInChI=1S/C7H3ClFN3/c8-7-4-1-6(9)10-2-5(4)11-3-12-7/h1-3H
InChIKeyMGWFUQALPUPAER-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 4-chloro-6-fluoropyrido[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-6-fluoropyrido[3,4-d]pyrimidine (CID 10679041) is 4-chloro-6-fluoropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-fluoropyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-6-fluoropyrido[3,4-d]pyrimidine is Fc1cc2c(Cl)ncnc2cn1.
What is the InChIKey of 4-chloro-6-fluoropyrido[3,4-d]pyrimidine?
The InChIKey is MGWFUQALPUPAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFN3/c8-7-4-1-6(9)10-2-5(4)11-3-12-7/h1-3H.
What are the key properties of 4-chloro-6-fluoropyrido[3,4-d]pyrimidine?
4-chloro-6-fluoropyrido[3,4-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 4-chloro-6-fluoropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 10679041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).