2-chloro-6-fluoroquinazolin-8-ol

C8H4ClFN2O — CID 122537418

IUPAC2-chloro-6-fluoroquinazolin-8-ol
SMILESOc1cc(F)cc2cnc(Cl)nc12
InChIInChI=1S/C8H4ClFN2O/c9-8-11-3-4-1-5(10)2-6(13)7(4)12-8/h1-3,13H
InChIKeyIFSFBNWHADNIMA-UHFFFAOYSA-N
MW198.58 g/mol
LogP2.13
Rot. Bonds

About 2-chloro-6-fluoroquinazolin-8-ol

2-chloro-6-fluoroquinazolin-8-ol (PubChem CID 122537418) has the molecular formula C8H4ClFN2O and a molecular weight of 198.58 g/mol. Its IUPAC name is 2-chloro-6-fluoroquinazolin-8-ol.

Molecular Properties

Compound Name2-chloro-6-fluoroquinazolin-8-ol
PubChem CID122537418
Molecular FormulaC8H4ClFN2O
Molecular Weight198.58 g/mol
Exact Mass198.00
IUPAC Name2-chloro-6-fluoroquinazolin-8-ol
SMILESOc1cc(F)cc2cnc(Cl)nc12
InChIInChI=1S/C8H4ClFN2O/c9-8-11-3-4-1-5(10)2-6(13)7(4)12-8/h1-3,13H
InChIKeyIFSFBNWHADNIMA-UHFFFAOYSA-N
XLogP2.13
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.58
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoroquinazolin-8-ol?
The IUPAC name of 2-chloro-6-fluoroquinazolin-8-ol (CID 122537418) is 2-chloro-6-fluoroquinazolin-8-ol.
What is the SMILES notation for 2-chloro-6-fluoroquinazolin-8-ol?
The canonical SMILES for 2-chloro-6-fluoroquinazolin-8-ol is Oc1cc(F)cc2cnc(Cl)nc12.
What is the InChIKey of 2-chloro-6-fluoroquinazolin-8-ol?
The InChIKey is IFSFBNWHADNIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2O/c9-8-11-3-4-1-5(10)2-6(13)7(4)12-8/h1-3,13H.
What are the key properties of 2-chloro-6-fluoroquinazolin-8-ol?
2-chloro-6-fluoroquinazolin-8-ol has a molecular weight of 198.58 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoroquinazolin-8-ol is sourced from PubChem (CID 122537418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).