2-[3-(5-chloro-2-pyridinyl)-8-(4-fluorophenyl)-2-pyridin-2-ylnonan-5-yl]-5-fluoropyridine

C30H30ClF2N3 — CID 146230531

IUPAC2-[3-(5-chloro-2-pyridinyl)-8-(4-fluorophenyl)-2-pyridin-2-ylnonan-5-yl]-5-fluoropyridine
SMILESCC(CCC(CC(c1ccc(Cl)cn1)C(C)c1ccccn1)c1ccc(F)cn1)c1ccc(F)cc1
InChIInChI=1S/C30H30ClF2N3/c1-20(22-8-11-25(32)12-9-22)6-7-23(29-15-13-26(33)19-36-29)17-27(30-14-10-24(31)18-35-30)21(2)28-5-3-4-16-34-28/h3-5,8-16,18-21,23,27H,6-7,17H2,1-2H3
InChIKeyNVYMECJWLZNFQV-UHFFFAOYSA-N
MW506.04 g/mol
LogP8.45
Rot. Bonds10

About 2-[3-(5-chloro-2-pyridinyl)-8-(4-fluorophenyl)-2-pyridin-2-ylnonan-5-yl]-5-fluoropyridine

2-[3-(5-chloro-2-pyridinyl)-8-(4-fluorophenyl)-2-pyridin-2-ylnonan-5-yl]-5-fluoropyridine (PubChem CID 146230531) has the molecular formula C30H30ClF2N3 and a molecular weight of 506.04 g/mol. Its IUPAC name is 2-[3-(5-chloro-2-pyridinyl)-8-(4-fluorophenyl)-2-pyridin-2-ylnonan-5-yl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[3-(5-chloro-2-pyridinyl)-8-(4-fluorophenyl)-2-pyridin-2-ylnonan-5-yl]-5-fluoropyridine
PubChem CID146230531
Molecular FormulaC30H30ClF2N3
Molecular Weight506.04 g/mol
Exact Mass505.21
IUPAC Name2-[3-(5-chloro-2-pyridinyl)-8-(4-fluorophenyl)-2-pyridin-2-ylnonan-5-yl]-5-fluoropyridine
SMILESCC(CCC(CC(c1ccc(Cl)cn1)C(C)c1ccccn1)c1ccc(F)cn1)c1ccc(F)cc1
InChIInChI=1S/C30H30ClF2N3/c1-20(22-8-11-25(32)12-9-22)6-7-23(29-15-13-26(33)19-36-29)17-27(30-14-10-24(31)18-35-30)21(2)28-5-3-4-16-34-28/h3-5,8-16,18-21,23,27H,6-7,17H2,1-2H3
InChIKeyNVYMECJWLZNFQV-UHFFFAOYSA-N
XLogP8.45
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.04
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chloro-2-pyridinyl)-8-(4-fluorophenyl)-2-pyridin-2-ylnonan-5-yl]-5-fluoropyridine?
The IUPAC name of 2-[3-(5-chloro-2-pyridinyl)-8-(4-fluorophenyl)-2-pyridin-2-ylnonan-5-yl]-5-fluoropyridine (CID 146230531) is 2-[3-(5-chloro-2-pyridinyl)-8-(4-fluorophenyl)-2-pyridin-2-ylnonan-5-yl]-5-fluoropyridine.
What is the SMILES notation for 2-[3-(5-chloro-2-pyridinyl)-8-(4-fluorophenyl)-2-pyridin-2-ylnonan-5-yl]-5-fluoropyridine?
The canonical SMILES for 2-[3-(5-chloro-2-pyridinyl)-8-(4-fluorophenyl)-2-pyridin-2-ylnonan-5-yl]-5-fluoropyridine is CC(CCC(CC(c1ccc(Cl)cn1)C(C)c1ccccn1)c1ccc(F)cn1)c1ccc(F)cc1.
What is the InChIKey of 2-[3-(5-chloro-2-pyridinyl)-8-(4-fluorophenyl)-2-pyridin-2-ylnonan-5-yl]-5-fluoropyridine?
The InChIKey is NVYMECJWLZNFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClF2N3/c1-20(22-8-11-25(32)12-9-22)6-7-23(29-15-13-26(33)19-36-29)17-27(30-14-10-24(31)18-35-30)21(2)28-5-3-4-16-34-28/h3-5,8-16,18-21,23,27H,6-7,17H2,1-2H3.
What are the key properties of 2-[3-(5-chloro-2-pyridinyl)-8-(4-fluorophenyl)-2-pyridin-2-ylnonan-5-yl]-5-fluoropyridine?
2-[3-(5-chloro-2-pyridinyl)-8-(4-fluorophenyl)-2-pyridin-2-ylnonan-5-yl]-5-fluoropyridine has a molecular weight of 506.04 g/mol, XLogP of 8.45, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-chloro-2-pyridinyl)-8-(4-fluorophenyl)-2-pyridin-2-ylnonan-5-yl]-5-fluoropyridine is sourced from PubChem (CID 146230531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).