2-[(6-chloropyridazin-3-yl)amino]-5-phenylpyridine-3-carbonitrile

C16H10ClN5 — CID 171346202

IUPAC2-[(6-chloropyridazin-3-yl)amino]-5-phenylpyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)cnc1Nc1ccc(Cl)nn1
InChIInChI=1S/C16H10ClN5/c17-14-6-7-15(22-21-14)20-16-12(9-18)8-13(10-19-16)11-4-2-1-3-5-11/h1-8,10H,(H,19,20,22)
InChIKeyKUNTUXACFBFEOT-UHFFFAOYSA-N
MW307.74 g/mol
LogP3.81
Rot. Bonds3

About 2-[(6-chloropyridazin-3-yl)amino]-5-phenylpyridine-3-carbonitrile

2-[(6-chloropyridazin-3-yl)amino]-5-phenylpyridine-3-carbonitrile (PubChem CID 171346202) has the molecular formula C16H10ClN5 and a molecular weight of 307.74 g/mol. Its IUPAC name is 2-[(6-chloropyridazin-3-yl)amino]-5-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(6-chloropyridazin-3-yl)amino]-5-phenylpyridine-3-carbonitrile
PubChem CID171346202
Molecular FormulaC16H10ClN5
Molecular Weight307.74 g/mol
Exact Mass307.06
IUPAC Name2-[(6-chloropyridazin-3-yl)amino]-5-phenylpyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)cnc1Nc1ccc(Cl)nn1
InChIInChI=1S/C16H10ClN5/c17-14-6-7-15(22-21-14)20-16-12(9-18)8-13(10-19-16)11-4-2-1-3-5-11/h1-8,10H,(H,19,20,22)
InChIKeyKUNTUXACFBFEOT-UHFFFAOYSA-N
XLogP3.81
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyridazin-3-yl)amino]-5-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-[(6-chloropyridazin-3-yl)amino]-5-phenylpyridine-3-carbonitrile (CID 171346202) is 2-[(6-chloropyridazin-3-yl)amino]-5-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(6-chloropyridazin-3-yl)amino]-5-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(6-chloropyridazin-3-yl)amino]-5-phenylpyridine-3-carbonitrile is N#Cc1cc(-c2ccccc2)cnc1Nc1ccc(Cl)nn1.
What is the InChIKey of 2-[(6-chloropyridazin-3-yl)amino]-5-phenylpyridine-3-carbonitrile?
The InChIKey is KUNTUXACFBFEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN5/c17-14-6-7-15(22-21-14)20-16-12(9-18)8-13(10-19-16)11-4-2-1-3-5-11/h1-8,10H,(H,19,20,22).
What are the key properties of 2-[(6-chloropyridazin-3-yl)amino]-5-phenylpyridine-3-carbonitrile?
2-[(6-chloropyridazin-3-yl)amino]-5-phenylpyridine-3-carbonitrile has a molecular weight of 307.74 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyridazin-3-yl)amino]-5-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 171346202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).