1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethanamine

C15H13ClFN3 — CID 58368572

IUPAC1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethanamine
SMILESCC(N)c1cc(Cl)c2cn[nH]c2c1-c1cccc(F)c1
InChIInChI=1S/C15H13ClFN3/c1-8(18)11-6-13(16)12-7-19-20-15(12)14(11)9-3-2-4-10(17)5-9/h2-8H,18H2,1H3,(H,19,20)
InChIKeyOYPUZLVCONTJQX-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.04
Rot. Bonds2

About 1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethanamine

1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethanamine (PubChem CID 58368572) has the molecular formula C15H13ClFN3 and a molecular weight of 289.74 g/mol. Its IUPAC name is 1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethanamine.

Molecular Properties

Compound Name1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethanamine
PubChem CID58368572
Molecular FormulaC15H13ClFN3
Molecular Weight289.74 g/mol
Exact Mass289.08
IUPAC Name1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethanamine
SMILESCC(N)c1cc(Cl)c2cn[nH]c2c1-c1cccc(F)c1
InChIInChI=1S/C15H13ClFN3/c1-8(18)11-6-13(16)12-7-19-20-15(12)14(11)9-3-2-4-10(17)5-9/h2-8H,18H2,1H3,(H,19,20)
InChIKeyOYPUZLVCONTJQX-UHFFFAOYSA-N
XLogP4.04
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethanamine?
The IUPAC name of 1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethanamine (CID 58368572) is 1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethanamine.
What is the SMILES notation for 1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethanamine?
The canonical SMILES for 1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethanamine is CC(N)c1cc(Cl)c2cn[nH]c2c1-c1cccc(F)c1.
What is the InChIKey of 1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethanamine?
The InChIKey is OYPUZLVCONTJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3/c1-8(18)11-6-13(16)12-7-19-20-15(12)14(11)9-3-2-4-10(17)5-9/h2-8H,18H2,1H3,(H,19,20).
What are the key properties of 1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethanamine?
1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethanamine has a molecular weight of 289.74 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethanamine is sourced from PubChem (CID 58368572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).