3-[4-(3-fluoropropyl)phenyl]-6-pentylpyridazine

C18H23FN2 — CID 19789056

IUPAC3-[4-(3-fluoropropyl)phenyl]-6-pentylpyridazine
SMILESCCCCCc1ccc(-c2ccc(CCCF)cc2)nn1
InChIInChI=1S/C18H23FN2/c1-2-3-4-7-17-12-13-18(21-20-17)16-10-8-15(9-11-16)6-5-14-19/h8-13H,2-7,14H2,1H3
InChIKeyJCMRBKRMSGMYBW-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.78
Rot. Bonds8

About 3-[4-(3-fluoropropyl)phenyl]-6-pentylpyridazine

3-[4-(3-fluoropropyl)phenyl]-6-pentylpyridazine (PubChem CID 19789056) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 3-[4-(3-fluoropropyl)phenyl]-6-pentylpyridazine.

Molecular Properties

Compound Name3-[4-(3-fluoropropyl)phenyl]-6-pentylpyridazine
PubChem CID19789056
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name3-[4-(3-fluoropropyl)phenyl]-6-pentylpyridazine
SMILESCCCCCc1ccc(-c2ccc(CCCF)cc2)nn1
InChIInChI=1S/C18H23FN2/c1-2-3-4-7-17-12-13-18(21-20-17)16-10-8-15(9-11-16)6-5-14-19/h8-13H,2-7,14H2,1H3
InChIKeyJCMRBKRMSGMYBW-UHFFFAOYSA-N
XLogP4.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluoropropyl)phenyl]-6-pentylpyridazine?
The IUPAC name of 3-[4-(3-fluoropropyl)phenyl]-6-pentylpyridazine (CID 19789056) is 3-[4-(3-fluoropropyl)phenyl]-6-pentylpyridazine.
What is the SMILES notation for 3-[4-(3-fluoropropyl)phenyl]-6-pentylpyridazine?
The canonical SMILES for 3-[4-(3-fluoropropyl)phenyl]-6-pentylpyridazine is CCCCCc1ccc(-c2ccc(CCCF)cc2)nn1.
What is the InChIKey of 3-[4-(3-fluoropropyl)phenyl]-6-pentylpyridazine?
The InChIKey is JCMRBKRMSGMYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-2-3-4-7-17-12-13-18(21-20-17)16-10-8-15(9-11-16)6-5-14-19/h8-13H,2-7,14H2,1H3.
What are the key properties of 3-[4-(3-fluoropropyl)phenyl]-6-pentylpyridazine?
3-[4-(3-fluoropropyl)phenyl]-6-pentylpyridazine has a molecular weight of 286.39 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluoropropyl)phenyl]-6-pentylpyridazine is sourced from PubChem (CID 19789056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).