6-fluoro-3-(2-pyridin-3-ylethenyl)-1H-indazol-5-amine

C14H11FN4 — CID 68933883

IUPAC6-fluoro-3-(2-pyridin-3-ylethenyl)-1H-indazol-5-amine
SMILESNc1cc2c(C=Cc3cccnc3)n[nH]c2cc1F
InChIInChI=1S/C14H11FN4/c15-11-7-14-10(6-12(11)16)13(18-19-14)4-3-9-2-1-5-17-8-9/h1-8H,16H2,(H,18,19)
InChIKeyJMRAYJFJWAFZBQ-UHFFFAOYSA-N
MW254.27 g/mol
LogP2.85
Rot. Bonds2

About 6-fluoro-3-(2-pyridin-3-ylethenyl)-1H-indazol-5-amine

6-fluoro-3-(2-pyridin-3-ylethenyl)-1H-indazol-5-amine (PubChem CID 68933883) has the molecular formula C14H11FN4 and a molecular weight of 254.27 g/mol. Its IUPAC name is 6-fluoro-3-(2-pyridin-3-ylethenyl)-1H-indazol-5-amine.

Molecular Properties

Compound Name6-fluoro-3-(2-pyridin-3-ylethenyl)-1H-indazol-5-amine
PubChem CID68933883
Molecular FormulaC14H11FN4
Molecular Weight254.27 g/mol
Exact Mass254.10
IUPAC Name6-fluoro-3-(2-pyridin-3-ylethenyl)-1H-indazol-5-amine
SMILESNc1cc2c(C=Cc3cccnc3)n[nH]c2cc1F
InChIInChI=1S/C14H11FN4/c15-11-7-14-10(6-12(11)16)13(18-19-14)4-3-9-2-1-5-17-8-9/h1-8H,16H2,(H,18,19)
InChIKeyJMRAYJFJWAFZBQ-UHFFFAOYSA-N
XLogP2.85
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(2-pyridin-3-ylethenyl)-1H-indazol-5-amine?
The IUPAC name of 6-fluoro-3-(2-pyridin-3-ylethenyl)-1H-indazol-5-amine (CID 68933883) is 6-fluoro-3-(2-pyridin-3-ylethenyl)-1H-indazol-5-amine.
What is the SMILES notation for 6-fluoro-3-(2-pyridin-3-ylethenyl)-1H-indazol-5-amine?
The canonical SMILES for 6-fluoro-3-(2-pyridin-3-ylethenyl)-1H-indazol-5-amine is Nc1cc2c(C=Cc3cccnc3)n[nH]c2cc1F.
What is the InChIKey of 6-fluoro-3-(2-pyridin-3-ylethenyl)-1H-indazol-5-amine?
The InChIKey is JMRAYJFJWAFZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4/c15-11-7-14-10(6-12(11)16)13(18-19-14)4-3-9-2-1-5-17-8-9/h1-8H,16H2,(H,18,19).
What are the key properties of 6-fluoro-3-(2-pyridin-3-ylethenyl)-1H-indazol-5-amine?
6-fluoro-3-(2-pyridin-3-ylethenyl)-1H-indazol-5-amine has a molecular weight of 254.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(2-pyridin-3-ylethenyl)-1H-indazol-5-amine is sourced from PubChem (CID 68933883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).