6-chloro-3-naphthalen-1-yl-4-pyridin-4-ylpyridazine

C19H12ClN3 — CID 90428693

IUPAC6-chloro-3-naphthalen-1-yl-4-pyridin-4-ylpyridazine
SMILESClc1cc(-c2ccncc2)c(-c2cccc3ccccc23)nn1
InChIInChI=1S/C19H12ClN3/c20-18-12-17(14-8-10-21-11-9-14)19(23-22-18)16-7-3-5-13-4-1-2-6-15(13)16/h1-12H
InChIKeyCHUYZKAAQVZDNB-UHFFFAOYSA-N
MW317.78 g/mol
LogP5.01
Rot. Bonds2

About 6-chloro-3-naphthalen-1-yl-4-pyridin-4-ylpyridazine

6-chloro-3-naphthalen-1-yl-4-pyridin-4-ylpyridazine (PubChem CID 90428693) has the molecular formula C19H12ClN3 and a molecular weight of 317.78 g/mol. Its IUPAC name is 6-chloro-3-naphthalen-1-yl-4-pyridin-4-ylpyridazine.

Molecular Properties

Compound Name6-chloro-3-naphthalen-1-yl-4-pyridin-4-ylpyridazine
PubChem CID90428693
Molecular FormulaC19H12ClN3
Molecular Weight317.78 g/mol
Exact Mass317.07
IUPAC Name6-chloro-3-naphthalen-1-yl-4-pyridin-4-ylpyridazine
SMILESClc1cc(-c2ccncc2)c(-c2cccc3ccccc23)nn1
InChIInChI=1S/C19H12ClN3/c20-18-12-17(14-8-10-21-11-9-14)19(23-22-18)16-7-3-5-13-4-1-2-6-15(13)16/h1-12H
InChIKeyCHUYZKAAQVZDNB-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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Related Compounds

6-methyl-3-naphthalen-1-yl-4-pyridin-4-ylpyridazine
CID 90454474
4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]pyridine
CID 71174823
4-(10-naphthalen-1-ylanthracen-9-yl)pyridine
CID 89341882
6-naphthalen-1-yl-1,2,4-triazine-3,5-diamine
CID 23311134
4-(5-naphthalen-1-ylfuran-2-yl)pyridine
CID 56932024
2-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 146187334
4-(3-naphthalen-1-ylphenyl)pyrimidine
CID 156551175
1-phenylphenanthrene;pyrazine
CID 175377735
4-(4-anthracen-9-ylnaphthalen-1-yl)pyridine
CID 141277666
4-[2-(4-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-4-ylpyridine
CID 166685143
3-(2-chlorophenyl)-4-pyridin-4-ylpyridazine
CID 69275479
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-naphthalen-1-yl-4-pyridin-4-ylpyridazine?
The IUPAC name of 6-chloro-3-naphthalen-1-yl-4-pyridin-4-ylpyridazine (CID 90428693) is 6-chloro-3-naphthalen-1-yl-4-pyridin-4-ylpyridazine.
What is the SMILES notation for 6-chloro-3-naphthalen-1-yl-4-pyridin-4-ylpyridazine?
The canonical SMILES for 6-chloro-3-naphthalen-1-yl-4-pyridin-4-ylpyridazine is Clc1cc(-c2ccncc2)c(-c2cccc3ccccc23)nn1.
What is the InChIKey of 6-chloro-3-naphthalen-1-yl-4-pyridin-4-ylpyridazine?
The InChIKey is CHUYZKAAQVZDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3/c20-18-12-17(14-8-10-21-11-9-14)19(23-22-18)16-7-3-5-13-4-1-2-6-15(13)16/h1-12H.
What are the key properties of 6-chloro-3-naphthalen-1-yl-4-pyridin-4-ylpyridazine?
6-chloro-3-naphthalen-1-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-1-yl-4-pyridin-4-ylpyridazine is sourced from PubChem (CID 90428693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).