6-[6-(3-aminophenyl)indazol-1-yl]pyridine-2-carbonitrile

C19H13N5 — CID 118664788

IUPAC6-[6-(3-aminophenyl)indazol-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(-n2ncc3ccc(-c4cccc(N)c4)cc32)n1
InChIInChI=1S/C19H13N5/c20-11-17-5-2-6-19(23-17)24-18-10-14(7-8-15(18)12-22-24)13-3-1-4-16(21)9-13/h1-10,12H,21H2
InChIKeyGJAYCNGGZGENHH-UHFFFAOYSA-N
MW311.35 g/mol
LogP3.54
Rot. Bonds2

About 6-[6-(3-aminophenyl)indazol-1-yl]pyridine-2-carbonitrile

6-[6-(3-aminophenyl)indazol-1-yl]pyridine-2-carbonitrile (PubChem CID 118664788) has the molecular formula C19H13N5 and a molecular weight of 311.35 g/mol. Its IUPAC name is 6-[6-(3-aminophenyl)indazol-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[6-(3-aminophenyl)indazol-1-yl]pyridine-2-carbonitrile
PubChem CID118664788
Molecular FormulaC19H13N5
Molecular Weight311.35 g/mol
Exact Mass311.12
IUPAC Name6-[6-(3-aminophenyl)indazol-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(-n2ncc3ccc(-c4cccc(N)c4)cc32)n1
InChIInChI=1S/C19H13N5/c20-11-17-5-2-6-19(23-17)24-18-10-14(7-8-15(18)12-22-24)13-3-1-4-16(21)9-13/h1-10,12H,21H2
InChIKeyGJAYCNGGZGENHH-UHFFFAOYSA-N
XLogP3.54
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[6-(3-aminophenyl)indazol-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[6-(3-aminophenyl)indazol-1-yl]pyridine-2-carbonitrile (CID 118664788) is 6-[6-(3-aminophenyl)indazol-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[6-(3-aminophenyl)indazol-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[6-(3-aminophenyl)indazol-1-yl]pyridine-2-carbonitrile is N#Cc1cccc(-n2ncc3ccc(-c4cccc(N)c4)cc32)n1.
What is the InChIKey of 6-[6-(3-aminophenyl)indazol-1-yl]pyridine-2-carbonitrile?
The InChIKey is GJAYCNGGZGENHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5/c20-11-17-5-2-6-19(23-17)24-18-10-14(7-8-15(18)12-22-24)13-3-1-4-16(21)9-13/h1-10,12H,21H2.
What are the key properties of 6-[6-(3-aminophenyl)indazol-1-yl]pyridine-2-carbonitrile?
6-[6-(3-aminophenyl)indazol-1-yl]pyridine-2-carbonitrile has a molecular weight of 311.35 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(3-aminophenyl)indazol-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 118664788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).