4-chloro-5-fluoro-2-pyridin-1-ium-3-ylquinazoline

C13H8ClFN3+ — CID 163676674

IUPAC4-chloro-5-fluoro-2-pyridin-1-ium-3-ylquinazoline
SMILESFc1cccc2nc(-c3ccc[nH+]c3)nc(Cl)c12
InChIInChI=1S/C13H7ClFN3/c14-12-11-9(15)4-1-5-10(11)17-13(18-12)8-3-2-6-16-7-8/h1-7H/p+1
InChIKeyJHGZZJLDKHBFNY-UHFFFAOYSA-O
MW260.68 g/mol
LogP2.90
Rot. Bonds1

About 4-chloro-5-fluoro-2-pyridin-1-ium-3-ylquinazoline

4-chloro-5-fluoro-2-pyridin-1-ium-3-ylquinazoline (PubChem CID 163676674) has the molecular formula C13H8ClFN3+ and a molecular weight of 260.68 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2-pyridin-1-ium-3-ylquinazoline.

Molecular Properties

Compound Name4-chloro-5-fluoro-2-pyridin-1-ium-3-ylquinazoline
PubChem CID163676674
Molecular FormulaC13H8ClFN3+
Molecular Weight260.68 g/mol
Exact Mass260.04
IUPAC Name4-chloro-5-fluoro-2-pyridin-1-ium-3-ylquinazoline
SMILESFc1cccc2nc(-c3ccc[nH+]c3)nc(Cl)c12
InChIInChI=1S/C13H7ClFN3/c14-12-11-9(15)4-1-5-10(11)17-13(18-12)8-3-2-6-16-7-8/h1-7H/p+1
InChIKeyJHGZZJLDKHBFNY-UHFFFAOYSA-O
XLogP2.90
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-5-fluoro-2-pyridin-1-ium-3-ylquinazoline 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-chloro-5-fluoro-2-(4-fluoro-3-methylphenyl)quinazoline
CID 114590262
4-chloro-2-(5-chloro-2-methylphenyl)-5-fluoroquinazoline
CID 114590235
4-chloro-5-fluoro-2-(2-methylphenyl)quinazoline
CID 114590256
4-chloro-5-fluoro-2-(2-fluoro-4-methylphenyl)quinazoline
CID 114590211
4-chloro-2-(2,5-dimethylphenyl)-5-fluoroquinazoline
CID 114590227
4-chloro-2-(2,4-dimethylphenyl)-5-fluoroquinazoline
CID 114590238
4-chloro-2-(chloromethyl)-5-fluoroquinazoline
CID 87480846
4-chloro-2-(3-chlorophenyl)-5-fluoro-8-methylquinazoline
CID 114589862
4-chloro-2-(3-chlorophenyl)-6,7-difluoroquinazoline
CID 114590146
4-chloro-5-methyl-2-(4-methylphenyl)quinazoline
CID 63086037
4-chloro-2-(2-fluoro-3-methylphenyl)-5-methylquinazoline
CID 81481875
2-chloro-5-fluoroquinazolin-4-amine
CID 34181642

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-2-pyridin-1-ium-3-ylquinazoline?
The IUPAC name of 4-chloro-5-fluoro-2-pyridin-1-ium-3-ylquinazoline (CID 163676674) is 4-chloro-5-fluoro-2-pyridin-1-ium-3-ylquinazoline.
What is the SMILES notation for 4-chloro-5-fluoro-2-pyridin-1-ium-3-ylquinazoline?
The canonical SMILES for 4-chloro-5-fluoro-2-pyridin-1-ium-3-ylquinazoline is Fc1cccc2nc(-c3ccc[nH+]c3)nc(Cl)c12.
What is the InChIKey of 4-chloro-5-fluoro-2-pyridin-1-ium-3-ylquinazoline?
The InChIKey is JHGZZJLDKHBFNY-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H7ClFN3/c14-12-11-9(15)4-1-5-10(11)17-13(18-12)8-3-2-6-16-7-8/h1-7H/p+1.
What are the key properties of 4-chloro-5-fluoro-2-pyridin-1-ium-3-ylquinazoline?
4-chloro-5-fluoro-2-pyridin-1-ium-3-ylquinazoline has a molecular weight of 260.68 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-2-pyridin-1-ium-3-ylquinazoline is sourced from PubChem (CID 163676674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).