5-(2-chloro-1H-pyridazin-6-yl)pyridine-3-carbonitrile

C10H7ClN4 — CID 90044919

IUPAC5-(2-chloro-1H-pyridazin-6-yl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(C2=CC=CN(Cl)N2)c1
InChIInChI=1S/C10H7ClN4/c11-15-3-1-2-10(14-15)9-4-8(5-12)6-13-7-9/h1-4,6-7,14H
InChIKeyPVXQGESHJJUCCC-UHFFFAOYSA-N
MW218.65 g/mol
LogP1.78
Rot. Bonds1

About 5-(2-chloro-1H-pyridazin-6-yl)pyridine-3-carbonitrile

5-(2-chloro-1H-pyridazin-6-yl)pyridine-3-carbonitrile (PubChem CID 90044919) has the molecular formula C10H7ClN4 and a molecular weight of 218.65 g/mol. Its IUPAC name is 5-(2-chloro-1H-pyridazin-6-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2-chloro-1H-pyridazin-6-yl)pyridine-3-carbonitrile
PubChem CID90044919
Molecular FormulaC10H7ClN4
Molecular Weight218.65 g/mol
Exact Mass218.04
IUPAC Name5-(2-chloro-1H-pyridazin-6-yl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(C2=CC=CN(Cl)N2)c1
InChIInChI=1S/C10H7ClN4/c11-15-3-1-2-10(14-15)9-4-8(5-12)6-13-7-9/h1-4,6-7,14H
InChIKeyPVXQGESHJJUCCC-UHFFFAOYSA-N
XLogP1.78
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-1H-pyridazin-6-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-(2-chloro-1H-pyridazin-6-yl)pyridine-3-carbonitrile (CID 90044919) is 5-(2-chloro-1H-pyridazin-6-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(2-chloro-1H-pyridazin-6-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(2-chloro-1H-pyridazin-6-yl)pyridine-3-carbonitrile is N#Cc1cncc(C2=CC=CN(Cl)N2)c1.
What is the InChIKey of 5-(2-chloro-1H-pyridazin-6-yl)pyridine-3-carbonitrile?
The InChIKey is PVXQGESHJJUCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4/c11-15-3-1-2-10(14-15)9-4-8(5-12)6-13-7-9/h1-4,6-7,14H.
What are the key properties of 5-(2-chloro-1H-pyridazin-6-yl)pyridine-3-carbonitrile?
5-(2-chloro-1H-pyridazin-6-yl)pyridine-3-carbonitrile has a molecular weight of 218.65 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-1H-pyridazin-6-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 90044919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).