4-[(5-bromo-3-fluoro-2-pyridinyl)sulfanyl]quinazoline

C13H7BrFN3S — CID 114047896

IUPAC4-[(5-bromo-3-fluoro-2-pyridinyl)sulfanyl]quinazoline
SMILESFc1cc(Br)cnc1Sc1ncnc2ccccc12
InChIInChI=1S/C13H7BrFN3S/c14-8-5-10(15)13(16-6-8)19-12-9-3-1-2-4-11(9)17-7-18-12/h1-7H
InChIKeyDVRVUODVXQLJKI-UHFFFAOYSA-N
MW336.19 g/mol
LogP4.08
Rot. Bonds2

About 4-[(5-bromo-3-fluoro-2-pyridinyl)sulfanyl]quinazoline

4-[(5-bromo-3-fluoro-2-pyridinyl)sulfanyl]quinazoline (PubChem CID 114047896) has the molecular formula C13H7BrFN3S and a molecular weight of 336.19 g/mol. Its IUPAC name is 4-[(5-bromo-3-fluoro-2-pyridinyl)sulfanyl]quinazoline.

Molecular Properties

Compound Name4-[(5-bromo-3-fluoro-2-pyridinyl)sulfanyl]quinazoline
PubChem CID114047896
Molecular FormulaC13H7BrFN3S
Molecular Weight336.19 g/mol
Exact Mass334.95
IUPAC Name4-[(5-bromo-3-fluoro-2-pyridinyl)sulfanyl]quinazoline
SMILESFc1cc(Br)cnc1Sc1ncnc2ccccc12
InChIInChI=1S/C13H7BrFN3S/c14-8-5-10(15)13(16-6-8)19-12-9-3-1-2-4-11(9)17-7-18-12/h1-7H
InChIKeyDVRVUODVXQLJKI-UHFFFAOYSA-N
XLogP4.08
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(5-bromo-3-fluoro-2-pyridinyl)sulfanyl]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-bromopyrimidin-4-yl)sulfanylquinazoline
CID 66319173
5-bromo-2-quinazolin-4-ylsulfanylaniline
CID 60893837
2-(4-bromo-2-quinazolin-4-ylsulfanylphenyl)ethanamine
CID 63818147
5-fluoro-4-methyl-2-quinazolin-4-ylsulfanylaniline
CID 103591367
3-fluoro-5-quinazolin-4-ylsulfanylaniline
CID 60894924
(1R)-1-(3-fluoro-4-quinazolin-4-ylsulfanylphenyl)ethanol
CID 63835579
1-(5-bromo-2-quinazolin-4-ylsulfanylphenyl)ethanol
CID 82957654
2-quinazolin-4-ylsulfanylpyrimidin-5-amine
CID 61145477
5-bromo-4-quinazolin-4-ylsulfanyl-1H-pyrimidin-6-one
CID 114791119
(3-quinazolin-4-ylsulfanylpyrazin-2-yl)methanamine
CID 62683489
1-(3-fluoro-4-quinazolin-4-ylsulfanylphenyl)ethanone
CID 60895654
2-quinazolin-4-ylsulfanylphenol
CID 62026320

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-3-fluoro-2-pyridinyl)sulfanyl]quinazoline?
The IUPAC name of 4-[(5-bromo-3-fluoro-2-pyridinyl)sulfanyl]quinazoline (CID 114047896) is 4-[(5-bromo-3-fluoro-2-pyridinyl)sulfanyl]quinazoline.
What is the SMILES notation for 4-[(5-bromo-3-fluoro-2-pyridinyl)sulfanyl]quinazoline?
The canonical SMILES for 4-[(5-bromo-3-fluoro-2-pyridinyl)sulfanyl]quinazoline is Fc1cc(Br)cnc1Sc1ncnc2ccccc12.
What is the InChIKey of 4-[(5-bromo-3-fluoro-2-pyridinyl)sulfanyl]quinazoline?
The InChIKey is DVRVUODVXQLJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFN3S/c14-8-5-10(15)13(16-6-8)19-12-9-3-1-2-4-11(9)17-7-18-12/h1-7H.
What are the key properties of 4-[(5-bromo-3-fluoro-2-pyridinyl)sulfanyl]quinazoline?
4-[(5-bromo-3-fluoro-2-pyridinyl)sulfanyl]quinazoline has a molecular weight of 336.19 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-3-fluoro-2-pyridinyl)sulfanyl]quinazoline is sourced from PubChem (CID 114047896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).