6-fluoro-1-(pyrrolidin-2-ylmethyl)indazole

C12H14FN3 — CID 86203454

IUPAC6-fluoro-1-(pyrrolidin-2-ylmethyl)indazole
SMILESFc1ccc2cnn(CC3CCCN3)c2c1
InChIInChI=1S/C12H14FN3/c13-10-4-3-9-7-15-16(12(9)6-10)8-11-2-1-5-14-11/h3-4,6-7,11,14H,1-2,5,8H2
InChIKeyKUPOACFVSKYLDH-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.93
Rot. Bonds2

About 6-fluoro-1-(pyrrolidin-2-ylmethyl)indazole

6-fluoro-1-(pyrrolidin-2-ylmethyl)indazole (PubChem CID 86203454) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 6-fluoro-1-(pyrrolidin-2-ylmethyl)indazole.

Molecular Properties

Compound Name6-fluoro-1-(pyrrolidin-2-ylmethyl)indazole
PubChem CID86203454
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name6-fluoro-1-(pyrrolidin-2-ylmethyl)indazole
SMILESFc1ccc2cnn(CC3CCCN3)c2c1
InChIInChI=1S/C12H14FN3/c13-10-4-3-9-7-15-16(12(9)6-10)8-11-2-1-5-14-11/h3-4,6-7,11,14H,1-2,5,8H2
InChIKeyKUPOACFVSKYLDH-UHFFFAOYSA-N
XLogP1.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-1-(piperidin-2-ylmethyl)indazole
CID 84796127
1-(azetidin-3-ylmethyl)-6-fluoroindazole
CID 141365019
6-fluoro-1-[(1-methylpyrrolidin-2-yl)methyl]indazole
CID 174227473
7-bromo-1-(pyrrolidin-2-ylmethyl)indazole
CID 84811810
1-(pyrrolidin-2-ylmethyl)furo[2,3-g]indazole
CID 21196558
(2R)-2-[(6-fluoroindazol-1-yl)methyl]pyrrolidine-1-carboxylic acid
CID 174215674
3-(pyrrolidin-2-ylmethyl)pyrido[3,4-d]pyridazin-4-one
CID 102548974
5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 106548752
1-(3-pyrrolidin-2-ylpropyl)indazole
CID 62480133
1-(cyclopropylmethyl)indazol-6-amine
CID 43646564
5-bromo-1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol
CID 117232255
4-(4-methylphenyl)-1-[1-[[(2S)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one
CID 71039147

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(pyrrolidin-2-ylmethyl)indazole?
The IUPAC name of 6-fluoro-1-(pyrrolidin-2-ylmethyl)indazole (CID 86203454) is 6-fluoro-1-(pyrrolidin-2-ylmethyl)indazole.
What is the SMILES notation for 6-fluoro-1-(pyrrolidin-2-ylmethyl)indazole?
The canonical SMILES for 6-fluoro-1-(pyrrolidin-2-ylmethyl)indazole is Fc1ccc2cnn(CC3CCCN3)c2c1.
What is the InChIKey of 6-fluoro-1-(pyrrolidin-2-ylmethyl)indazole?
The InChIKey is KUPOACFVSKYLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c13-10-4-3-9-7-15-16(12(9)6-10)8-11-2-1-5-14-11/h3-4,6-7,11,14H,1-2,5,8H2.
What are the key properties of 6-fluoro-1-(pyrrolidin-2-ylmethyl)indazole?
6-fluoro-1-(pyrrolidin-2-ylmethyl)indazole has a molecular weight of 219.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(pyrrolidin-2-ylmethyl)indazole is sourced from PubChem (CID 86203454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).