1-(azetidin-3-ylmethyl)-6-fluoroindazole

C11H12FN3 — CID 141365019

IUPAC1-(azetidin-3-ylmethyl)-6-fluoroindazole
SMILESFc1ccc2cnn(CC3CNC3)c2c1
InChIInChI=1S/C11H12FN3/c12-10-2-1-9-6-14-15(11(9)3-10)7-8-4-13-5-8/h1-3,6,8,13H,4-5,7H2
InChIKeyMVKNQMSXGSYCLU-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.39
Rot. Bonds2

About 1-(azetidin-3-ylmethyl)-6-fluoroindazole

1-(azetidin-3-ylmethyl)-6-fluoroindazole (PubChem CID 141365019) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)-6-fluoroindazole.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)-6-fluoroindazole
PubChem CID141365019
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name1-(azetidin-3-ylmethyl)-6-fluoroindazole
SMILESFc1ccc2cnn(CC3CNC3)c2c1
InChIInChI=1S/C11H12FN3/c12-10-2-1-9-6-14-15(11(9)3-10)7-8-4-13-5-8/h1-3,6,8,13H,4-5,7H2
InChIKeyMVKNQMSXGSYCLU-UHFFFAOYSA-N
XLogP1.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-1-(pyrrolidin-2-ylmethyl)indazole
CID 86203454
6-fluoro-1-[(1-methylpyrrolidin-2-yl)methyl]indazole
CID 174227473
2-(6-fluoroindazol-1-yl)acetaldehyde
CID 83827825
1-(cyclopropylmethyl)indazol-6-amine
CID 43646564
(2R)-2-[(6-fluoroindazol-1-yl)methyl]pyrrolidine-1-carboxylic acid
CID 174215674
1-benzyl-6-fluoroindazole
CID 83414179
6-fluoroindazol-1-amine
CID 83413973
5-fluoro-1-(piperidin-2-ylmethyl)indazole
CID 84796127
1-[(3-chlorophenyl)methyl]-6-fluoroindazole
CID 141202076
5-(6-fluoro-1H-indol-3-yl)-1-(piperidin-4-ylmethyl)indazole
CID 118382679
1-(6-fluoroindazol-1-yl)-3-methoxypropan-2-amine
CID 119088227
1-[(2-chloro-4-fluorophenyl)methyl]-6-iodoindazole
CID 79785038

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)-6-fluoroindazole?
The IUPAC name of 1-(azetidin-3-ylmethyl)-6-fluoroindazole (CID 141365019) is 1-(azetidin-3-ylmethyl)-6-fluoroindazole.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)-6-fluoroindazole?
The canonical SMILES for 1-(azetidin-3-ylmethyl)-6-fluoroindazole is Fc1ccc2cnn(CC3CNC3)c2c1.
What is the InChIKey of 1-(azetidin-3-ylmethyl)-6-fluoroindazole?
The InChIKey is MVKNQMSXGSYCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c12-10-2-1-9-6-14-15(11(9)3-10)7-8-4-13-5-8/h1-3,6,8,13H,4-5,7H2.
What are the key properties of 1-(azetidin-3-ylmethyl)-6-fluoroindazole?
1-(azetidin-3-ylmethyl)-6-fluoroindazole has a molecular weight of 205.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)-6-fluoroindazole is sourced from PubChem (CID 141365019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).