3-chloro-6-[4-(4-pentylcyclohexyl)phenyl]pyridazine

C21H27ClN2 — CID 14744678

IUPAC3-chloro-6-[4-(4-pentylcyclohexyl)phenyl]pyridazine
SMILESCCCCCC1CCC(c2ccc(-c3ccc(Cl)nn3)cc2)CC1
InChIInChI=1S/C21H27ClN2/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(22)24-23-20/h10-17H,2-9H2,1H3
InChIKeyNEZGBRTUYWYDKS-UHFFFAOYSA-N
MW342.91 g/mol
LogP6.65
Rot. Bonds6

About 3-chloro-6-[4-(4-pentylcyclohexyl)phenyl]pyridazine

3-chloro-6-[4-(4-pentylcyclohexyl)phenyl]pyridazine (PubChem CID 14744678) has the molecular formula C21H27ClN2 and a molecular weight of 342.91 g/mol. Its IUPAC name is 3-chloro-6-[4-(4-pentylcyclohexyl)phenyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[4-(4-pentylcyclohexyl)phenyl]pyridazine
PubChem CID14744678
Molecular FormulaC21H27ClN2
Molecular Weight342.91 g/mol
Exact Mass342.19
IUPAC Name3-chloro-6-[4-(4-pentylcyclohexyl)phenyl]pyridazine
SMILESCCCCCC1CCC(c2ccc(-c3ccc(Cl)nn3)cc2)CC1
InChIInChI=1S/C21H27ClN2/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(22)24-23-20/h10-17H,2-9H2,1H3
InChIKeyNEZGBRTUYWYDKS-UHFFFAOYSA-N
XLogP6.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.91
LogP ≤ 56.65
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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Related Compounds

1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15135338
2-(4-chlorophenyl)-5-[4-(4-pentylcyclohexyl)phenyl]-1,3,4-oxadiazole
CID 3095305
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene
CID 160958151
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
CID 20654382
5-(methylsulfanylmethyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyridine
CID 5031623
5-heptoxy-2-[4-(4-hexylcyclohexyl)phenyl]pyridine
CID 139601512

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-(4-pentylcyclohexyl)phenyl]pyridazine?
The IUPAC name of 3-chloro-6-[4-(4-pentylcyclohexyl)phenyl]pyridazine (CID 14744678) is 3-chloro-6-[4-(4-pentylcyclohexyl)phenyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[4-(4-pentylcyclohexyl)phenyl]pyridazine?
The canonical SMILES for 3-chloro-6-[4-(4-pentylcyclohexyl)phenyl]pyridazine is CCCCCC1CCC(c2ccc(-c3ccc(Cl)nn3)cc2)CC1.
What is the InChIKey of 3-chloro-6-[4-(4-pentylcyclohexyl)phenyl]pyridazine?
The InChIKey is NEZGBRTUYWYDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(22)24-23-20/h10-17H,2-9H2,1H3.
What are the key properties of 3-chloro-6-[4-(4-pentylcyclohexyl)phenyl]pyridazine?
3-chloro-6-[4-(4-pentylcyclohexyl)phenyl]pyridazine has a molecular weight of 342.91 g/mol, XLogP of 6.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-(4-pentylcyclohexyl)phenyl]pyridazine is sourced from PubChem (CID 14744678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).