3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]aniline

C19H13F3N4 — CID 118663846

IUPAC3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]aniline
SMILESNc1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1
InChIInChI=1S/C19H13F3N4/c20-19(21,22)17-5-2-6-18(25-17)26-16-10-13(7-8-14(16)11-24-26)12-3-1-4-15(23)9-12/h1-11H,23H2
InChIKeyFRDDRSDSNNCWMD-UHFFFAOYSA-N
MW354.34 g/mol
LogP4.69
Rot. Bonds2

About 3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]aniline

3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]aniline (PubChem CID 118663846) has the molecular formula C19H13F3N4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]aniline.

Molecular Properties

Compound Name3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]aniline
PubChem CID118663846
Molecular FormulaC19H13F3N4
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]aniline
SMILESNc1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1
InChIInChI=1S/C19H13F3N4/c20-19(21,22)17-5-2-6-18(25-17)26-16-10-13(7-8-14(16)11-24-26)12-3-1-4-15(23)9-12/h1-11H,23H2
InChIKeyFRDDRSDSNNCWMD-UHFFFAOYSA-N
XLogP4.69
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]aniline?
The IUPAC name of 3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]aniline (CID 118663846) is 3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]aniline.
What is the SMILES notation for 3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]aniline?
The canonical SMILES for 3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]aniline is Nc1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1.
What is the InChIKey of 3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]aniline?
The InChIKey is FRDDRSDSNNCWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4/c20-19(21,22)17-5-2-6-18(25-17)26-16-10-13(7-8-14(16)11-24-26)12-3-1-4-15(23)9-12/h1-11H,23H2.
What are the key properties of 3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]aniline?
3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]aniline has a molecular weight of 354.34 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]aniline is sourced from PubChem (CID 118663846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).