5-[4-fluoro-3-(pyridin-4-ylmethoxy)phenyl]-3-phenylpyridazine

C22H16FN3O — CID 10383693

IUPAC5-[4-fluoro-3-(pyridin-4-ylmethoxy)phenyl]-3-phenylpyridazine
SMILESFc1ccc(-c2cnnc(-c3ccccc3)c2)cc1OCc1ccncc1
InChIInChI=1S/C22H16FN3O/c23-20-7-6-18(13-22(20)27-15-16-8-10-24-11-9-16)19-12-21(26-25-14-19)17-4-2-1-3-5-17/h1-14H,15H2
InChIKeyKPINTNPNXCOWCW-UHFFFAOYSA-N
MW357.39 g/mol
LogP4.92
Rot. Bonds5

About 5-[4-fluoro-3-(pyridin-4-ylmethoxy)phenyl]-3-phenylpyridazine

5-[4-fluoro-3-(pyridin-4-ylmethoxy)phenyl]-3-phenylpyridazine (PubChem CID 10383693) has the molecular formula C22H16FN3O and a molecular weight of 357.39 g/mol. Its IUPAC name is 5-[4-fluoro-3-(pyridin-4-ylmethoxy)phenyl]-3-phenylpyridazine.

Molecular Properties

Compound Name5-[4-fluoro-3-(pyridin-4-ylmethoxy)phenyl]-3-phenylpyridazine
PubChem CID10383693
Molecular FormulaC22H16FN3O
Molecular Weight357.39 g/mol
Exact Mass357.13
IUPAC Name5-[4-fluoro-3-(pyridin-4-ylmethoxy)phenyl]-3-phenylpyridazine
SMILESFc1ccc(-c2cnnc(-c3ccccc3)c2)cc1OCc1ccncc1
InChIInChI=1S/C22H16FN3O/c23-20-7-6-18(13-22(20)27-15-16-8-10-24-11-9-16)19-12-21(26-25-14-19)17-4-2-1-3-5-17/h1-14H,15H2
InChIKeyKPINTNPNXCOWCW-UHFFFAOYSA-N
XLogP4.92
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-(pyridin-4-ylmethoxy)phenyl]-3-phenylpyridazine?
The IUPAC name of 5-[4-fluoro-3-(pyridin-4-ylmethoxy)phenyl]-3-phenylpyridazine (CID 10383693) is 5-[4-fluoro-3-(pyridin-4-ylmethoxy)phenyl]-3-phenylpyridazine.
What is the SMILES notation for 5-[4-fluoro-3-(pyridin-4-ylmethoxy)phenyl]-3-phenylpyridazine?
The canonical SMILES for 5-[4-fluoro-3-(pyridin-4-ylmethoxy)phenyl]-3-phenylpyridazine is Fc1ccc(-c2cnnc(-c3ccccc3)c2)cc1OCc1ccncc1.
What is the InChIKey of 5-[4-fluoro-3-(pyridin-4-ylmethoxy)phenyl]-3-phenylpyridazine?
The InChIKey is KPINTNPNXCOWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O/c23-20-7-6-18(13-22(20)27-15-16-8-10-24-11-9-16)19-12-21(26-25-14-19)17-4-2-1-3-5-17/h1-14H,15H2.
What are the key properties of 5-[4-fluoro-3-(pyridin-4-ylmethoxy)phenyl]-3-phenylpyridazine?
5-[4-fluoro-3-(pyridin-4-ylmethoxy)phenyl]-3-phenylpyridazine has a molecular weight of 357.39 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-3-(pyridin-4-ylmethoxy)phenyl]-3-phenylpyridazine is sourced from PubChem (CID 10383693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).