1-(5-bromo-2-pyridinyl)-5-fluoro-6-methoxyindazole

C13H9BrFN3O — CID 163233767

IUPAC1-(5-bromo-2-pyridinyl)-5-fluoro-6-methoxyindazole
SMILESCOc1cc2c(cnn2-c2ccc(Br)cn2)cc1F
InChIInChI=1S/C13H9BrFN3O/c1-19-12-5-11-8(4-10(12)15)6-17-18(11)13-3-2-9(14)7-16-13/h2-7H,1H3
InChIKeyFOKZZTMAPUBCIE-UHFFFAOYSA-N
MW322.14 g/mol
LogP3.33
Rot. Bonds2

About 1-(5-bromo-2-pyridinyl)-5-fluoro-6-methoxyindazole

1-(5-bromo-2-pyridinyl)-5-fluoro-6-methoxyindazole (PubChem CID 163233767) has the molecular formula C13H9BrFN3O and a molecular weight of 322.14 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-5-fluoro-6-methoxyindazole.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-5-fluoro-6-methoxyindazole
PubChem CID163233767
Molecular FormulaC13H9BrFN3O
Molecular Weight322.14 g/mol
Exact Mass320.99
IUPAC Name1-(5-bromo-2-pyridinyl)-5-fluoro-6-methoxyindazole
SMILESCOc1cc2c(cnn2-c2ccc(Br)cn2)cc1F
InChIInChI=1S/C13H9BrFN3O/c1-19-12-5-11-8(4-10(12)15)6-17-18(11)13-3-2-9(14)7-16-13/h2-7H,1H3
InChIKeyFOKZZTMAPUBCIE-UHFFFAOYSA-N
XLogP3.33
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromo-2-pyridinyl)-5-fluoro-6-methoxyindazole 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

(E)-4-(2-(4-Fluorobenzylidene)hydrazinyl)-1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 9604943
N-[(4-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 53239950
(1E)-1-[(2-fluorophenyl)methylidene]-2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 91895689
(1E)-1-[(3-fluorophenyl)methylidene]-2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 91895690
(1E)-1-[(4-fluorophenyl)methylidene]-2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 91895691
(1E)-1-[(3,4-difluorophenyl)methylidene]-2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 91895692
(2E)-1-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-2-[(4-methoxyphenyl)methylidene]hydrazine
CID 91399119
3-Bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 4775099
N-[(E)-(2-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 9604942
N-[(3-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 53239948
4-N-(2,3-dimethylindazol-6-yl)-2-N-(3-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 54673096
2-N-(3-methoxyphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine
CID 56649380

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-5-fluoro-6-methoxyindazole?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-5-fluoro-6-methoxyindazole (CID 163233767) is 1-(5-bromo-2-pyridinyl)-5-fluoro-6-methoxyindazole.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-5-fluoro-6-methoxyindazole?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-5-fluoro-6-methoxyindazole is COc1cc2c(cnn2-c2ccc(Br)cn2)cc1F.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-5-fluoro-6-methoxyindazole?
The InChIKey is FOKZZTMAPUBCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3O/c1-19-12-5-11-8(4-10(12)15)6-17-18(11)13-3-2-9(14)7-16-13/h2-7H,1H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-5-fluoro-6-methoxyindazole?
1-(5-bromo-2-pyridinyl)-5-fluoro-6-methoxyindazole has a molecular weight of 322.14 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-5-fluoro-6-methoxyindazole is sourced from PubChem (CID 163233767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).