5-fluoro-4-indazol-1-yl-2-methoxyaniline

C14H12FN3O — CID 107259731

IUPAC5-fluoro-4-indazol-1-yl-2-methoxyaniline
SMILESCOc1cc(-n2ncc3ccccc32)c(F)cc1N
InChIInChI=1S/C14H12FN3O/c1-19-14-7-13(10(15)6-11(14)16)18-12-5-3-2-4-9(12)8-17-18/h2-8H,16H2,1H3
InChIKeyFGSNGVJMICOTJN-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.76
Rot. Bonds2

About 5-fluoro-4-indazol-1-yl-2-methoxyaniline

5-fluoro-4-indazol-1-yl-2-methoxyaniline (PubChem CID 107259731) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 5-fluoro-4-indazol-1-yl-2-methoxyaniline.

Molecular Properties

Compound Name5-fluoro-4-indazol-1-yl-2-methoxyaniline
PubChem CID107259731
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name5-fluoro-4-indazol-1-yl-2-methoxyaniline
SMILESCOc1cc(-n2ncc3ccccc32)c(F)cc1N
InChIInChI=1S/C14H12FN3O/c1-19-14-7-13(10(15)6-11(14)16)18-12-5-3-2-4-9(12)8-17-18/h2-8H,16H2,1H3
InChIKeyFGSNGVJMICOTJN-UHFFFAOYSA-N
XLogP2.76
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-6-indazol-1-ylaniline
CID 115507215
5-fluoro-4-(4-iodopyrazol-1-yl)-2-methoxyaniline
CID 107259740
1-(3-fluoro-4-indazol-1-ylphenyl)butan-2-amine
CID 63816242
5-(4-fluoro-2-methoxy-5-nitrophenyl)-4-indazol-1-ylpyrimidin-2-amine
CID 175906840
(2-fluoro-6-indazol-1-ylphenyl)methanamine
CID 79517639
1-(5-fluoro-2-indazol-1-ylphenyl)ethanamine
CID 62140004
3-bromo-4-indazol-1-ylaniline
CID 62140535
4-chloro-5-fluoro-6-indazol-1-ylbenzene-1,3-diamine
CID 103553587
2-indazol-1-ylpyrimidine-4,6-diamine
CID 90303723
2-indazol-1-yl-5-methylpyridin-4-amine
CID 83265472
2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258755
1-(2-indazol-1-ylphenyl)ethanamine
CID 62139804

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-indazol-1-yl-2-methoxyaniline?
The IUPAC name of 5-fluoro-4-indazol-1-yl-2-methoxyaniline (CID 107259731) is 5-fluoro-4-indazol-1-yl-2-methoxyaniline.
What is the SMILES notation for 5-fluoro-4-indazol-1-yl-2-methoxyaniline?
The canonical SMILES for 5-fluoro-4-indazol-1-yl-2-methoxyaniline is COc1cc(-n2ncc3ccccc32)c(F)cc1N.
What is the InChIKey of 5-fluoro-4-indazol-1-yl-2-methoxyaniline?
The InChIKey is FGSNGVJMICOTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-19-14-7-13(10(15)6-11(14)16)18-12-5-3-2-4-9(12)8-17-18/h2-8H,16H2,1H3.
What are the key properties of 5-fluoro-4-indazol-1-yl-2-methoxyaniline?
5-fluoro-4-indazol-1-yl-2-methoxyaniline has a molecular weight of 257.27 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-indazol-1-yl-2-methoxyaniline is sourced from PubChem (CID 107259731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).