6-bromo-5-fluoro-3-(fluoromethyl)-2H-quinazoline

C9H7BrF2N2 — CID 175890660

IUPAC6-bromo-5-fluoro-3-(fluoromethyl)-2H-quinazoline
SMILESFCN1C=c2c(F)c(Br)ccc2=NC1
InChIInChI=1S/C9H7BrF2N2/c10-7-1-2-8-6(9(7)12)3-14(4-11)5-13-8/h1-3H,4-5H2
InChIKeyQLUPPSUNLCCIJA-UHFFFAOYSA-N
MW261.07 g/mol
LogP1.15
Rot. Bonds1

About 6-bromo-5-fluoro-3-(fluoromethyl)-2H-quinazoline

6-bromo-5-fluoro-3-(fluoromethyl)-2H-quinazoline (PubChem CID 175890660) has the molecular formula C9H7BrF2N2 and a molecular weight of 261.07 g/mol. Its IUPAC name is 6-bromo-5-fluoro-3-(fluoromethyl)-2H-quinazoline.

Molecular Properties

Compound Name6-bromo-5-fluoro-3-(fluoromethyl)-2H-quinazoline
PubChem CID175890660
Molecular FormulaC9H7BrF2N2
Molecular Weight261.07 g/mol
Exact Mass259.98
IUPAC Name6-bromo-5-fluoro-3-(fluoromethyl)-2H-quinazoline
SMILESFCN1C=c2c(F)c(Br)ccc2=NC1
InChIInChI=1S/C9H7BrF2N2/c10-7-1-2-8-6(9(7)12)3-14(4-11)5-13-8/h1-3H,4-5H2
InChIKeyQLUPPSUNLCCIJA-UHFFFAOYSA-N
XLogP1.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3-methyl-2H-quinazoline
CID 150705953
2-fluoro-3,6-dimethyl-2H-quinazoline
CID 151270095
6-bromo-3-chloro-7-fluoro-2H-quinazoline
CID 169787739
6-bromo-3-chloro-5-fluoro-2H-quinazoline
CID 169787944
6-bromo-5-fluoro-3-methyl-2H-quinazoline
CID 175890772
6-bromo-3-methyl-2H-quinazoline
CID 141185520
6-bromo-3,5-dimethyl-2H-quinazoline
CID 172787863
6-bromo-5-methyl-3-propan-2-yl-2H-quinazoline
CID 172835016
3-(2-bromoethyl)-2H-quinazoline
CID 174907746

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-3-(fluoromethyl)-2H-quinazoline?
The IUPAC name of 6-bromo-5-fluoro-3-(fluoromethyl)-2H-quinazoline (CID 175890660) is 6-bromo-5-fluoro-3-(fluoromethyl)-2H-quinazoline.
What is the SMILES notation for 6-bromo-5-fluoro-3-(fluoromethyl)-2H-quinazoline?
The canonical SMILES for 6-bromo-5-fluoro-3-(fluoromethyl)-2H-quinazoline is FCN1C=c2c(F)c(Br)ccc2=NC1.
What is the InChIKey of 6-bromo-5-fluoro-3-(fluoromethyl)-2H-quinazoline?
The InChIKey is QLUPPSUNLCCIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2N2/c10-7-1-2-8-6(9(7)12)3-14(4-11)5-13-8/h1-3H,4-5H2.
What are the key properties of 6-bromo-5-fluoro-3-(fluoromethyl)-2H-quinazoline?
6-bromo-5-fluoro-3-(fluoromethyl)-2H-quinazoline has a molecular weight of 261.07 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-3-(fluoromethyl)-2H-quinazoline is sourced from PubChem (CID 175890660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).