6-chloro-3-naphthalen-2-yl-4-pyridin-4-ylpyridazine

C19H12ClN3 — CID 22185203

IUPAC6-chloro-3-naphthalen-2-yl-4-pyridin-4-ylpyridazine
SMILESClc1cc(-c2ccncc2)c(-c2ccc3ccccc3c2)nn1
InChIInChI=1S/C19H12ClN3/c20-18-12-17(14-7-9-21-10-8-14)19(23-22-18)16-6-5-13-3-1-2-4-15(13)11-16/h1-12H
InChIKeyXWQSPVNHITVMSG-UHFFFAOYSA-N
MW317.78 g/mol
LogP5.01
Rot. Bonds2

About 6-chloro-3-naphthalen-2-yl-4-pyridin-4-ylpyridazine

6-chloro-3-naphthalen-2-yl-4-pyridin-4-ylpyridazine (PubChem CID 22185203) has the molecular formula C19H12ClN3 and a molecular weight of 317.78 g/mol. Its IUPAC name is 6-chloro-3-naphthalen-2-yl-4-pyridin-4-ylpyridazine.

Molecular Properties

Compound Name6-chloro-3-naphthalen-2-yl-4-pyridin-4-ylpyridazine
PubChem CID22185203
Molecular FormulaC19H12ClN3
Molecular Weight317.78 g/mol
Exact Mass317.07
IUPAC Name6-chloro-3-naphthalen-2-yl-4-pyridin-4-ylpyridazine
SMILESClc1cc(-c2ccncc2)c(-c2ccc3ccccc3c2)nn1
InChIInChI=1S/C19H12ClN3/c20-18-12-17(14-7-9-21-10-8-14)19(23-22-18)16-6-5-13-3-1-2-4-15(13)11-16/h1-12H
InChIKeyXWQSPVNHITVMSG-UHFFFAOYSA-N
XLogP5.01
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.78
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-naphthalen-2-yl-4-pyridin-4-ylpyridazine?
The IUPAC name of 6-chloro-3-naphthalen-2-yl-4-pyridin-4-ylpyridazine (CID 22185203) is 6-chloro-3-naphthalen-2-yl-4-pyridin-4-ylpyridazine.
What is the SMILES notation for 6-chloro-3-naphthalen-2-yl-4-pyridin-4-ylpyridazine?
The canonical SMILES for 6-chloro-3-naphthalen-2-yl-4-pyridin-4-ylpyridazine is Clc1cc(-c2ccncc2)c(-c2ccc3ccccc3c2)nn1.
What is the InChIKey of 6-chloro-3-naphthalen-2-yl-4-pyridin-4-ylpyridazine?
The InChIKey is XWQSPVNHITVMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3/c20-18-12-17(14-7-9-21-10-8-14)19(23-22-18)16-6-5-13-3-1-2-4-15(13)11-16/h1-12H.
What are the key properties of 6-chloro-3-naphthalen-2-yl-4-pyridin-4-ylpyridazine?
6-chloro-3-naphthalen-2-yl-4-pyridin-4-ylpyridazine has a molecular weight of 317.78 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-naphthalen-2-yl-4-pyridin-4-ylpyridazine is sourced from PubChem (CID 22185203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).