5-chloro-8-fluoroquinazolin-2-amine

C8H5ClFN3 — CID 155895299

IUPAC5-chloro-8-fluoroquinazolin-2-amine
SMILESNc1ncc2c(Cl)ccc(F)c2n1
InChIInChI=1S/C8H5ClFN3/c9-5-1-2-6(10)7-4(5)3-12-8(11)13-7/h1-3H,(H2,11,12,13)
InChIKeyYYPOOBCATMCSSN-UHFFFAOYSA-N
MW197.60 g/mol
LogP2.00
Rot. Bonds

About 5-chloro-8-fluoroquinazolin-2-amine

5-chloro-8-fluoroquinazolin-2-amine (PubChem CID 155895299) has the molecular formula C8H5ClFN3 and a molecular weight of 197.60 g/mol. Its IUPAC name is 5-chloro-8-fluoroquinazolin-2-amine.

Molecular Properties

Compound Name5-chloro-8-fluoroquinazolin-2-amine
PubChem CID155895299
Molecular FormulaC8H5ClFN3
Molecular Weight197.60 g/mol
Exact Mass197.02
IUPAC Name5-chloro-8-fluoroquinazolin-2-amine
SMILESNc1ncc2c(Cl)ccc(F)c2n1
InChIInChI=1S/C8H5ClFN3/c9-5-1-2-6(10)7-4(5)3-12-8(11)13-7/h1-3H,(H2,11,12,13)
InChIKeyYYPOOBCATMCSSN-UHFFFAOYSA-N
XLogP2.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.60
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-fluoroquinazolin-2-amine?
The IUPAC name of 5-chloro-8-fluoroquinazolin-2-amine (CID 155895299) is 5-chloro-8-fluoroquinazolin-2-amine.
What is the SMILES notation for 5-chloro-8-fluoroquinazolin-2-amine?
The canonical SMILES for 5-chloro-8-fluoroquinazolin-2-amine is Nc1ncc2c(Cl)ccc(F)c2n1.
What is the InChIKey of 5-chloro-8-fluoroquinazolin-2-amine?
The InChIKey is YYPOOBCATMCSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN3/c9-5-1-2-6(10)7-4(5)3-12-8(11)13-7/h1-3H,(H2,11,12,13).
What are the key properties of 5-chloro-8-fluoroquinazolin-2-amine?
5-chloro-8-fluoroquinazolin-2-amine has a molecular weight of 197.60 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-fluoroquinazolin-2-amine is sourced from PubChem (CID 155895299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).