6-[4-(4-nitrophenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carbonitrile

C22H13N5O2 — CID 21195130

IUPAC6-[4-(4-nitrophenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccn3)n2)n1
InChIInChI=1S/C22H13N5O2/c23-14-17-4-3-6-20(25-17)22-13-16(15-7-9-18(10-8-15)27(28)29)12-21(26-22)19-5-1-2-11-24-19/h1-13H
InChIKeyRNGTWPCPCBWRSA-UHFFFAOYSA-N
MW379.38 g/mol
LogP4.65
Rot. Bonds4

About 6-[4-(4-nitrophenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carbonitrile

6-[4-(4-nitrophenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carbonitrile (PubChem CID 21195130) has the molecular formula C22H13N5O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 6-[4-(4-nitrophenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(4-nitrophenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carbonitrile
PubChem CID21195130
Molecular FormulaC22H13N5O2
Molecular Weight379.38 g/mol
Exact Mass379.11
IUPAC Name6-[4-(4-nitrophenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccn3)n2)n1
InChIInChI=1S/C22H13N5O2/c23-14-17-4-3-6-20(25-17)22-13-16(15-7-9-18(10-8-15)27(28)29)12-21(26-22)19-5-1-2-11-24-19/h1-13H
InChIKeyRNGTWPCPCBWRSA-UHFFFAOYSA-N
XLogP4.65
TPSA105.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-nitrophenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-(4-nitrophenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carbonitrile (CID 21195130) is 6-[4-(4-nitrophenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(4-nitrophenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(4-nitrophenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carbonitrile is N#Cc1cccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccn3)n2)n1.
What is the InChIKey of 6-[4-(4-nitrophenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carbonitrile?
The InChIKey is RNGTWPCPCBWRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N5O2/c23-14-17-4-3-6-20(25-17)22-13-16(15-7-9-18(10-8-15)27(28)29)12-21(26-22)19-5-1-2-11-24-19/h1-13H.
What are the key properties of 6-[4-(4-nitrophenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carbonitrile?
6-[4-(4-nitrophenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carbonitrile has a molecular weight of 379.38 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-nitrophenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carbonitrile is sourced from PubChem (CID 21195130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).