6-bromo-5-fluoro-3-methyl-2H-quinazoline

C9H8BrFN2 — CID 175890772

IUPAC6-bromo-5-fluoro-3-methyl-2H-quinazoline
SMILESCN1C=c2c(F)c(Br)ccc2=NC1
InChIInChI=1S/C9H8BrFN2/c1-13-4-6-8(12-5-13)3-2-7(10)9(6)11/h2-4H,5H2,1H3
InChIKeyNJNQOIHDQOZKCH-UHFFFAOYSA-N
MW243.08 g/mol
LogP0.85
Rot. Bonds

About 6-bromo-5-fluoro-3-methyl-2H-quinazoline

6-bromo-5-fluoro-3-methyl-2H-quinazoline (PubChem CID 175890772) has the molecular formula C9H8BrFN2 and a molecular weight of 243.08 g/mol. Its IUPAC name is 6-bromo-5-fluoro-3-methyl-2H-quinazoline.

Molecular Properties

Compound Name6-bromo-5-fluoro-3-methyl-2H-quinazoline
PubChem CID175890772
Molecular FormulaC9H8BrFN2
Molecular Weight243.08 g/mol
Exact Mass241.99
IUPAC Name6-bromo-5-fluoro-3-methyl-2H-quinazoline
SMILESCN1C=c2c(F)c(Br)ccc2=NC1
InChIInChI=1S/C9H8BrFN2/c1-13-4-6-8(12-5-13)3-2-7(10)9(6)11/h2-4H,5H2,1H3
InChIKeyNJNQOIHDQOZKCH-UHFFFAOYSA-N
XLogP0.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.08
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methylquinazoline
CID 68345740
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
5-fluoro-3-methyl-2H-quinazolin-6-amine
CID 175890645
6-bromo-5-fluoro-3-(fluoromethyl)-2H-quinazoline
CID 175890660
6-Bromo-3-methylquinazolin-2-one
CID 72710582
2,3-dimethyl-2H-quinazoline
CID 23503296
6-bromo-3-cyclopropyl-2H-quinazoline
CID 68956138
6-bromo-3-methyl-2H-quinazoline
CID 141185520
6-bromo-3-(cyclopropylmethyl)-5-methyl-2H-quinazoline
CID 172706741

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-3-methyl-2H-quinazoline?
The IUPAC name of 6-bromo-5-fluoro-3-methyl-2H-quinazoline (CID 175890772) is 6-bromo-5-fluoro-3-methyl-2H-quinazoline.
What is the SMILES notation for 6-bromo-5-fluoro-3-methyl-2H-quinazoline?
The canonical SMILES for 6-bromo-5-fluoro-3-methyl-2H-quinazoline is CN1C=c2c(F)c(Br)ccc2=NC1.
What is the InChIKey of 6-bromo-5-fluoro-3-methyl-2H-quinazoline?
The InChIKey is NJNQOIHDQOZKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2/c1-13-4-6-8(12-5-13)3-2-7(10)9(6)11/h2-4H,5H2,1H3.
What are the key properties of 6-bromo-5-fluoro-3-methyl-2H-quinazoline?
6-bromo-5-fluoro-3-methyl-2H-quinazoline has a molecular weight of 243.08 g/mol, XLogP of 0.85, 0 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-methyl-2H-quinazoline is sourced from PubChem (CID 175890772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).