5-heptyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-pentyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-propyl-2-[4-(trifluoromethyl)phenyl]pyridine

C51H54F9N3 — CID 88639421

IUPAC5-heptyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-pentyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-propyl-2-[4-(trifluoromethyl)phenyl]pyridine
SMILESCCCCCCCc1ccc(-c2ccc(C(F)(F)F)cc2)nc1.CCCCCc1ccc(-c2ccc(C(F)(F)F)cc2)nc1.CCCc1ccc(-c2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C19H22F3N.C17H18F3N.C15H14F3N/c1-2-3-4-5-6-7-15-8-13-18(23-14-15)16-9-11-17(12-10-16)19(20,21)22;1-2-3-4-5-13-6-11-16(21-12-13)14-7-9-15(10-8-14)17(18,19)20;1-2-3-11-4-9-14(19-10-11)12-5-7-13(8-6-12)15(16,17)18/h8-14H,2-7H2,1H3;6-12H,2-5H2,1H3;4-10H,2-3H2,1H3
InChIKeyKTGYQIJPNNVHAN-UHFFFAOYSA-N
MW880.00 g/mol
LogP16.50
Rot. Bonds15

About 5-heptyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-pentyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-propyl-2-[4-(trifluoromethyl)phenyl]pyridine

5-heptyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-pentyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-propyl-2-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 88639421) has the molecular formula C51H54F9N3 and a molecular weight of 880.00 g/mol. Its IUPAC name is 5-heptyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-pentyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-propyl-2-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name5-heptyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-pentyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-propyl-2-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID88639421
Molecular FormulaC51H54F9N3
Molecular Weight880.00 g/mol
Exact Mass879.42
IUPAC Name5-heptyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-pentyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-propyl-2-[4-(trifluoromethyl)phenyl]pyridine
SMILESCCCCCCCc1ccc(-c2ccc(C(F)(F)F)cc2)nc1.CCCCCc1ccc(-c2ccc(C(F)(F)F)cc2)nc1.CCCc1ccc(-c2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C19H22F3N.C17H18F3N.C15H14F3N/c1-2-3-4-5-6-7-15-8-13-18(23-14-15)16-9-11-17(12-10-16)19(20,21)22;1-2-3-4-5-13-6-11-16(21-12-13)14-7-9-15(10-8-14)17(18,19)20;1-2-3-11-4-9-14(19-10-11)12-5-7-13(8-6-12)15(16,17)18/h8-14H,2-7H2,1H3;6-12H,2-5H2,1H3;4-10H,2-3H2,1H3
InChIKeyKTGYQIJPNNVHAN-UHFFFAOYSA-N
XLogP16.50
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.00
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-heptyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-pentyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-propyl-2-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 5-heptyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-pentyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-propyl-2-[4-(trifluoromethyl)phenyl]pyridine (CID 88639421) is 5-heptyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-pentyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-propyl-2-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 5-heptyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-pentyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-propyl-2-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 5-heptyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-pentyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-propyl-2-[4-(trifluoromethyl)phenyl]pyridine is CCCCCCCc1ccc(-c2ccc(C(F)(F)F)cc2)nc1.CCCCCc1ccc(-c2ccc(C(F)(F)F)cc2)nc1.CCCc1ccc(-c2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of 5-heptyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-pentyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-propyl-2-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is KTGYQIJPNNVHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N.C17H18F3N.C15H14F3N/c1-2-3-4-5-6-7-15-8-13-18(23-14-15)16-9-11-17(12-10-16)19(20,21)22;1-2-3-4-5-13-6-11-16(21-12-13)14-7-9-15(10-8-14)17(18,19)20;1-2-3-11-4-9-14(19-10-11)12-5-7-13(8-6-12)15(16,17)18/h8-14H,2-7H2,1H3;6-12H,2-5H2,1H3;4-10H,2-3H2,1H3.
What are the key properties of 5-heptyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-pentyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-propyl-2-[4-(trifluoromethyl)phenyl]pyridine?
5-heptyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-pentyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-propyl-2-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 880.00 g/mol, XLogP of 16.50, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-pentyl-2-[4-(trifluoromethyl)phenyl]pyridine;5-propyl-2-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 88639421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).