2-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol

C16H16FN3O — CID 174463754

IUPAC2-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol
SMILESCC(N)Cc1[nH]nc2cc(F)c(-c3ccccc3O)cc12
InChIInChI=1S/C16H16FN3O/c1-9(18)6-14-12-7-11(10-4-2-3-5-16(10)21)13(17)8-15(12)20-19-14/h2-5,7-9,21H,6,18H2,1H3,(H,19,20)
InChIKeyHNFDDVCPZBYCAE-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.96
Rot. Bonds3

About 2-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol

2-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol (PubChem CID 174463754) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol
PubChem CID174463754
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name2-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol
SMILESCC(N)Cc1[nH]nc2cc(F)c(-c3ccccc3O)cc12
InChIInChI=1S/C16H16FN3O/c1-9(18)6-14-12-7-11(10-4-2-3-5-16(10)21)13(17)8-15(12)20-19-14/h2-5,7-9,21H,6,18H2,1H3,(H,19,20)
InChIKeyHNFDDVCPZBYCAE-UHFFFAOYSA-N
XLogP2.96
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol?
The IUPAC name of 2-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol (CID 174463754) is 2-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol.
What is the SMILES notation for 2-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol?
The canonical SMILES for 2-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol is CC(N)Cc1[nH]nc2cc(F)c(-c3ccccc3O)cc12.
What is the InChIKey of 2-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol?
The InChIKey is HNFDDVCPZBYCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-9(18)6-14-12-7-11(10-4-2-3-5-16(10)21)13(17)8-15(12)20-19-14/h2-5,7-9,21H,6,18H2,1H3,(H,19,20).
What are the key properties of 2-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol?
2-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol has a molecular weight of 285.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminopropyl)-6-fluoro-2H-indazol-5-yl]phenol is sourced from PubChem (CID 174463754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).