5-(2-chloro-3-pyridinyl)-2-(4-chloro-2-pyridinyl)-6-fluoro-3-(3-fluoro-2-pyridinyl)-4-pyridin-3-ylpyridine

C25H13Cl2F2N5 — CID 141309322

IUPAC5-(2-chloro-3-pyridinyl)-2-(4-chloro-2-pyridinyl)-6-fluoro-3-(3-fluoro-2-pyridinyl)-4-pyridin-3-ylpyridine
SMILESFc1cccnc1-c1c(-c2cc(Cl)ccn2)nc(F)c(-c2cccnc2Cl)c1-c1cccnc1
InChIInChI=1S/C25H13Cl2F2N5/c26-15-7-11-31-18(12-15)23-21(22-17(28)6-3-9-32-22)19(14-4-1-8-30-13-14)20(25(29)34-23)16-5-2-10-33-24(16)27/h1-13H
InChIKeyUIUZXOIBUFBYMR-UHFFFAOYSA-N
MW492.32 g/mol
LogP6.91
Rot. Bonds4

About 5-(2-chloro-3-pyridinyl)-2-(4-chloro-2-pyridinyl)-6-fluoro-3-(3-fluoro-2-pyridinyl)-4-pyridin-3-ylpyridine

5-(2-chloro-3-pyridinyl)-2-(4-chloro-2-pyridinyl)-6-fluoro-3-(3-fluoro-2-pyridinyl)-4-pyridin-3-ylpyridine (PubChem CID 141309322) has the molecular formula C25H13Cl2F2N5 and a molecular weight of 492.32 g/mol. Its IUPAC name is 5-(2-chloro-3-pyridinyl)-2-(4-chloro-2-pyridinyl)-6-fluoro-3-(3-fluoro-2-pyridinyl)-4-pyridin-3-ylpyridine.

Molecular Properties

Compound Name5-(2-chloro-3-pyridinyl)-2-(4-chloro-2-pyridinyl)-6-fluoro-3-(3-fluoro-2-pyridinyl)-4-pyridin-3-ylpyridine
PubChem CID141309322
Molecular FormulaC25H13Cl2F2N5
Molecular Weight492.32 g/mol
Exact Mass491.05
IUPAC Name5-(2-chloro-3-pyridinyl)-2-(4-chloro-2-pyridinyl)-6-fluoro-3-(3-fluoro-2-pyridinyl)-4-pyridin-3-ylpyridine
SMILESFc1cccnc1-c1c(-c2cc(Cl)ccn2)nc(F)c(-c2cccnc2Cl)c1-c1cccnc1
InChIInChI=1S/C25H13Cl2F2N5/c26-15-7-11-31-18(12-15)23-21(22-17(28)6-3-9-32-22)19(14-4-1-8-30-13-14)20(25(29)34-23)16-5-2-10-33-24(16)27/h1-13H
InChIKeyUIUZXOIBUFBYMR-UHFFFAOYSA-N
XLogP6.91
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.32
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
2,2':4',2''-Terpyridine, 6'-(2-pyridinyl)-
CID 9972674
2-(2-Chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829616
2-(3-Chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829709
Nemertelline
CID 3042423
4'-(4-Chlorophenyl)-2,2':6',2''-terpyridine
CID 10871645
2-Chloro-3-[2-[2-(2-chlorophenyl)-3-pyridinyl]-1-pyridin-3-ylethyl]pyridine
CID 137657930
Pyridoclax
CID 92042827
1,4-Di((2,2':6',2''-terpyridin)-4'-yl)benzene
CID 5103711
1,2-Bis(4'-methyl-2,2'-bipyridin-4-yl)ethane
CID 15771932
2,4,6-Tri(pyridin-4-yl)pyridine
CID 46317148
8-Pyridin-4-yl-2-[5-(trifluoromethyl)-3-pyridinyl]-1,5-naphthyridine
CID 145962578

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-3-pyridinyl)-2-(4-chloro-2-pyridinyl)-6-fluoro-3-(3-fluoro-2-pyridinyl)-4-pyridin-3-ylpyridine?
The IUPAC name of 5-(2-chloro-3-pyridinyl)-2-(4-chloro-2-pyridinyl)-6-fluoro-3-(3-fluoro-2-pyridinyl)-4-pyridin-3-ylpyridine (CID 141309322) is 5-(2-chloro-3-pyridinyl)-2-(4-chloro-2-pyridinyl)-6-fluoro-3-(3-fluoro-2-pyridinyl)-4-pyridin-3-ylpyridine.
What is the SMILES notation for 5-(2-chloro-3-pyridinyl)-2-(4-chloro-2-pyridinyl)-6-fluoro-3-(3-fluoro-2-pyridinyl)-4-pyridin-3-ylpyridine?
The canonical SMILES for 5-(2-chloro-3-pyridinyl)-2-(4-chloro-2-pyridinyl)-6-fluoro-3-(3-fluoro-2-pyridinyl)-4-pyridin-3-ylpyridine is Fc1cccnc1-c1c(-c2cc(Cl)ccn2)nc(F)c(-c2cccnc2Cl)c1-c1cccnc1.
What is the InChIKey of 5-(2-chloro-3-pyridinyl)-2-(4-chloro-2-pyridinyl)-6-fluoro-3-(3-fluoro-2-pyridinyl)-4-pyridin-3-ylpyridine?
The InChIKey is UIUZXOIBUFBYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H13Cl2F2N5/c26-15-7-11-31-18(12-15)23-21(22-17(28)6-3-9-32-22)19(14-4-1-8-30-13-14)20(25(29)34-23)16-5-2-10-33-24(16)27/h1-13H.
What are the key properties of 5-(2-chloro-3-pyridinyl)-2-(4-chloro-2-pyridinyl)-6-fluoro-3-(3-fluoro-2-pyridinyl)-4-pyridin-3-ylpyridine?
5-(2-chloro-3-pyridinyl)-2-(4-chloro-2-pyridinyl)-6-fluoro-3-(3-fluoro-2-pyridinyl)-4-pyridin-3-ylpyridine has a molecular weight of 492.32 g/mol, XLogP of 6.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3-pyridinyl)-2-(4-chloro-2-pyridinyl)-6-fluoro-3-(3-fluoro-2-pyridinyl)-4-pyridin-3-ylpyridine is sourced from PubChem (CID 141309322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).