2-(1H-benzo[g]indazol-8-yl)pyridine-3-carbonitrile

C17H10N4 — CID 175991718

IUPAC2-(1H-benzo[g]indazol-8-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1-c1ccc2ccc3cn[nH]c3c2c1
InChIInChI=1S/C17H10N4/c18-9-13-2-1-7-19-16(13)12-5-3-11-4-6-14-10-20-21-17(14)15(11)8-12/h1-8,10H,(H,20,21)
InChIKeyDHQJTCUGEJBNGR-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.65
Rot. Bonds1

About 2-(1H-benzo[g]indazol-8-yl)pyridine-3-carbonitrile

2-(1H-benzo[g]indazol-8-yl)pyridine-3-carbonitrile (PubChem CID 175991718) has the molecular formula C17H10N4 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-(1H-benzo[g]indazol-8-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1H-benzo[g]indazol-8-yl)pyridine-3-carbonitrile
PubChem CID175991718
Molecular FormulaC17H10N4
Molecular Weight270.30 g/mol
Exact Mass270.09
IUPAC Name2-(1H-benzo[g]indazol-8-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1-c1ccc2ccc3cn[nH]c3c2c1
InChIInChI=1S/C17H10N4/c18-9-13-2-1-7-19-16(13)12-5-3-11-4-6-14-10-20-21-17(14)15(11)8-12/h1-8,10H,(H,20,21)
InChIKeyDHQJTCUGEJBNGR-UHFFFAOYSA-N
XLogP3.65
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzo[g]indazol-8-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(1H-benzo[g]indazol-8-yl)pyridine-3-carbonitrile (CID 175991718) is 2-(1H-benzo[g]indazol-8-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(1H-benzo[g]indazol-8-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(1H-benzo[g]indazol-8-yl)pyridine-3-carbonitrile is N#Cc1cccnc1-c1ccc2ccc3cn[nH]c3c2c1.
What is the InChIKey of 2-(1H-benzo[g]indazol-8-yl)pyridine-3-carbonitrile?
The InChIKey is DHQJTCUGEJBNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4/c18-9-13-2-1-7-19-16(13)12-5-3-11-4-6-14-10-20-21-17(14)15(11)8-12/h1-8,10H,(H,20,21).
What are the key properties of 2-(1H-benzo[g]indazol-8-yl)pyridine-3-carbonitrile?
2-(1H-benzo[g]indazol-8-yl)pyridine-3-carbonitrile has a molecular weight of 270.30 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzo[g]indazol-8-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 175991718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).