6-fluoro-1-[(1-methylpyrrolidin-2-yl)methyl]indazole

C13H16FN3 — CID 174227473

IUPAC6-fluoro-1-[(1-methylpyrrolidin-2-yl)methyl]indazole
SMILESCN1CCCC1Cn1ncc2ccc(F)cc21
InChIInChI=1S/C13H16FN3/c1-16-6-2-3-12(16)9-17-13-7-11(14)5-4-10(13)8-15-17/h4-5,7-8,12H,2-3,6,9H2,1H3
InChIKeyMJHHKCIQFIXYKO-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.27
Rot. Bonds2

About 6-fluoro-1-[(1-methylpyrrolidin-2-yl)methyl]indazole

6-fluoro-1-[(1-methylpyrrolidin-2-yl)methyl]indazole (PubChem CID 174227473) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 6-fluoro-1-[(1-methylpyrrolidin-2-yl)methyl]indazole.

Molecular Properties

Compound Name6-fluoro-1-[(1-methylpyrrolidin-2-yl)methyl]indazole
PubChem CID174227473
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name6-fluoro-1-[(1-methylpyrrolidin-2-yl)methyl]indazole
SMILESCN1CCCC1Cn1ncc2ccc(F)cc21
InChIInChI=1S/C13H16FN3/c1-16-6-2-3-12(16)9-17-13-7-11(14)5-4-10(13)8-15-17/h4-5,7-8,12H,2-3,6,9H2,1H3
InChIKeyMJHHKCIQFIXYKO-UHFFFAOYSA-N
XLogP2.27
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[(1-methylpyrrolidin-2-yl)methyl]indazole?
The IUPAC name of 6-fluoro-1-[(1-methylpyrrolidin-2-yl)methyl]indazole (CID 174227473) is 6-fluoro-1-[(1-methylpyrrolidin-2-yl)methyl]indazole.
What is the SMILES notation for 6-fluoro-1-[(1-methylpyrrolidin-2-yl)methyl]indazole?
The canonical SMILES for 6-fluoro-1-[(1-methylpyrrolidin-2-yl)methyl]indazole is CN1CCCC1Cn1ncc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1-[(1-methylpyrrolidin-2-yl)methyl]indazole?
The InChIKey is MJHHKCIQFIXYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-16-6-2-3-12(16)9-17-13-7-11(14)5-4-10(13)8-15-17/h4-5,7-8,12H,2-3,6,9H2,1H3.
What are the key properties of 6-fluoro-1-[(1-methylpyrrolidin-2-yl)methyl]indazole?
6-fluoro-1-[(1-methylpyrrolidin-2-yl)methyl]indazole has a molecular weight of 233.29 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[(1-methylpyrrolidin-2-yl)methyl]indazole is sourced from PubChem (CID 174227473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).