2-[4-(5-chloro-2-pyridinyl)-9-(4-fluorophenyl)-2-pyridin-2-yldecan-5-yl]-5-fluoropyridine

C31H32ClF2N3 — CID 146230433

IUPAC2-[4-(5-chloro-2-pyridinyl)-9-(4-fluorophenyl)-2-pyridin-2-yldecan-5-yl]-5-fluoropyridine
SMILESCC(CCCC(c1ccc(F)cn1)C(CC(C)c1ccccn1)c1ccc(Cl)cn1)c1ccc(F)cc1
InChIInChI=1S/C31H32ClF2N3/c1-21(23-9-12-25(33)13-10-23)6-5-7-27(30-16-14-26(34)20-37-30)28(31-15-11-24(32)19-36-31)18-22(2)29-8-3-4-17-35-29/h3-4,8-17,19-22,27-28H,5-7,18H2,1-2H3
InChIKeyKWYIUUUCYAOFCQ-UHFFFAOYSA-N
MW520.07 g/mol
LogP8.84
Rot. Bonds11

About 2-[4-(5-chloro-2-pyridinyl)-9-(4-fluorophenyl)-2-pyridin-2-yldecan-5-yl]-5-fluoropyridine

2-[4-(5-chloro-2-pyridinyl)-9-(4-fluorophenyl)-2-pyridin-2-yldecan-5-yl]-5-fluoropyridine (PubChem CID 146230433) has the molecular formula C31H32ClF2N3 and a molecular weight of 520.07 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-pyridinyl)-9-(4-fluorophenyl)-2-pyridin-2-yldecan-5-yl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[4-(5-chloro-2-pyridinyl)-9-(4-fluorophenyl)-2-pyridin-2-yldecan-5-yl]-5-fluoropyridine
PubChem CID146230433
Molecular FormulaC31H32ClF2N3
Molecular Weight520.07 g/mol
Exact Mass519.23
IUPAC Name2-[4-(5-chloro-2-pyridinyl)-9-(4-fluorophenyl)-2-pyridin-2-yldecan-5-yl]-5-fluoropyridine
SMILESCC(CCCC(c1ccc(F)cn1)C(CC(C)c1ccccn1)c1ccc(Cl)cn1)c1ccc(F)cc1
InChIInChI=1S/C31H32ClF2N3/c1-21(23-9-12-25(33)13-10-23)6-5-7-27(30-16-14-26(34)20-37-30)28(31-15-11-24(32)19-36-31)18-22(2)29-8-3-4-17-35-29/h3-4,8-17,19-22,27-28H,5-7,18H2,1-2H3
InChIKeyKWYIUUUCYAOFCQ-UHFFFAOYSA-N
XLogP8.84
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.07
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-pyridinyl)-9-(4-fluorophenyl)-2-pyridin-2-yldecan-5-yl]-5-fluoropyridine?
The IUPAC name of 2-[4-(5-chloro-2-pyridinyl)-9-(4-fluorophenyl)-2-pyridin-2-yldecan-5-yl]-5-fluoropyridine (CID 146230433) is 2-[4-(5-chloro-2-pyridinyl)-9-(4-fluorophenyl)-2-pyridin-2-yldecan-5-yl]-5-fluoropyridine.
What is the SMILES notation for 2-[4-(5-chloro-2-pyridinyl)-9-(4-fluorophenyl)-2-pyridin-2-yldecan-5-yl]-5-fluoropyridine?
The canonical SMILES for 2-[4-(5-chloro-2-pyridinyl)-9-(4-fluorophenyl)-2-pyridin-2-yldecan-5-yl]-5-fluoropyridine is CC(CCCC(c1ccc(F)cn1)C(CC(C)c1ccccn1)c1ccc(Cl)cn1)c1ccc(F)cc1.
What is the InChIKey of 2-[4-(5-chloro-2-pyridinyl)-9-(4-fluorophenyl)-2-pyridin-2-yldecan-5-yl]-5-fluoropyridine?
The InChIKey is KWYIUUUCYAOFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32ClF2N3/c1-21(23-9-12-25(33)13-10-23)6-5-7-27(30-16-14-26(34)20-37-30)28(31-15-11-24(32)19-36-31)18-22(2)29-8-3-4-17-35-29/h3-4,8-17,19-22,27-28H,5-7,18H2,1-2H3.
What are the key properties of 2-[4-(5-chloro-2-pyridinyl)-9-(4-fluorophenyl)-2-pyridin-2-yldecan-5-yl]-5-fluoropyridine?
2-[4-(5-chloro-2-pyridinyl)-9-(4-fluorophenyl)-2-pyridin-2-yldecan-5-yl]-5-fluoropyridine has a molecular weight of 520.07 g/mol, XLogP of 8.84, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-pyridinyl)-9-(4-fluorophenyl)-2-pyridin-2-yldecan-5-yl]-5-fluoropyridine is sourced from PubChem (CID 146230433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).