6-chloro-2-fluoro-3-[4-(4-pentylphenyl)cyclohexyl]pyridine

C22H27ClFN — CID 19765668

IUPAC6-chloro-2-fluoro-3-[4-(4-pentylphenyl)cyclohexyl]pyridine
SMILESCCCCCc1ccc(C2CCC(c3ccc(Cl)nc3F)CC2)cc1
InChIInChI=1S/C22H27ClFN/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(23)25-22(20)24/h6-9,14-15,18-19H,2-5,10-13H2,1H3
InChIKeyDFBRKPZRAYFEIB-UHFFFAOYSA-N
MW359.92 g/mol
LogP7.05
Rot. Bonds6

About 6-chloro-2-fluoro-3-[4-(4-pentylphenyl)cyclohexyl]pyridine

6-chloro-2-fluoro-3-[4-(4-pentylphenyl)cyclohexyl]pyridine (PubChem CID 19765668) has the molecular formula C22H27ClFN and a molecular weight of 359.92 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-[4-(4-pentylphenyl)cyclohexyl]pyridine.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-[4-(4-pentylphenyl)cyclohexyl]pyridine
PubChem CID19765668
Molecular FormulaC22H27ClFN
Molecular Weight359.92 g/mol
Exact Mass359.18
IUPAC Name6-chloro-2-fluoro-3-[4-(4-pentylphenyl)cyclohexyl]pyridine
SMILESCCCCCc1ccc(C2CCC(c3ccc(Cl)nc3F)CC2)cc1
InChIInChI=1S/C22H27ClFN/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(23)25-22(20)24/h6-9,14-15,18-19H,2-5,10-13H2,1H3
InChIKeyDFBRKPZRAYFEIB-UHFFFAOYSA-N
XLogP7.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.92
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorocyclohexyl)-4-heptylbenzene
CID 22123877
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
1-(4-ethylcyclohexyl)-4-pentylbenzene
CID 20683439
2,3-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene
CID 139846844
1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene
CID 22123952
1-(4-ethylcyclohexyl)-4-nonylbenzene
CID 20683410
1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 59931186
2,3,6-trifluoro-5-[2-[4-(4-hexylphenyl)cyclohexyl]ethynyl]pyridine
CID 23190534
4-[4-(4-pentylphenyl)cyclohexyl]benzoyl chloride
CID 21318438
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381
1-[4-(1,1,2,2,2-pentafluoroethyl)cyclohexyl]-4-pentylbenzene
CID 18650649
1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene
CID 19798701

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-3-[4-(4-pentylphenyl)cyclohexyl]pyridine?
The IUPAC name of 6-chloro-2-fluoro-3-[4-(4-pentylphenyl)cyclohexyl]pyridine (CID 19765668) is 6-chloro-2-fluoro-3-[4-(4-pentylphenyl)cyclohexyl]pyridine.
What is the SMILES notation for 6-chloro-2-fluoro-3-[4-(4-pentylphenyl)cyclohexyl]pyridine?
The canonical SMILES for 6-chloro-2-fluoro-3-[4-(4-pentylphenyl)cyclohexyl]pyridine is CCCCCc1ccc(C2CCC(c3ccc(Cl)nc3F)CC2)cc1.
What is the InChIKey of 6-chloro-2-fluoro-3-[4-(4-pentylphenyl)cyclohexyl]pyridine?
The InChIKey is DFBRKPZRAYFEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClFN/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(23)25-22(20)24/h6-9,14-15,18-19H,2-5,10-13H2,1H3.
What are the key properties of 6-chloro-2-fluoro-3-[4-(4-pentylphenyl)cyclohexyl]pyridine?
6-chloro-2-fluoro-3-[4-(4-pentylphenyl)cyclohexyl]pyridine has a molecular weight of 359.92 g/mol, XLogP of 7.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-3-[4-(4-pentylphenyl)cyclohexyl]pyridine is sourced from PubChem (CID 19765668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).