2,4-dichloro-6-(3-chloro-2-pyridinyl)-5-(2,4-dichloro-3-pyridinyl)-3-(4-fluoro-3-pyridinyl)pyridine

C20H8Cl5FN4 — CID 141091275

IUPAC2,4-dichloro-6-(3-chloro-2-pyridinyl)-5-(2,4-dichloro-3-pyridinyl)-3-(4-fluoro-3-pyridinyl)pyridine
SMILESFc1ccncc1-c1c(Cl)nc(-c2ncccc2Cl)c(-c2c(Cl)ccnc2Cl)c1Cl
InChIInChI=1S/C20H8Cl5FN4/c21-10-3-7-29-19(24)14(10)15-16(23)13(9-8-27-6-4-12(9)26)20(25)30-18(15)17-11(22)2-1-5-28-17/h1-8H
InChIKeyMTSVRRJTOMDYHO-UHFFFAOYSA-N
MW500.58 g/mol
LogP7.67
Rot. Bonds3

About 2,4-dichloro-6-(3-chloro-2-pyridinyl)-5-(2,4-dichloro-3-pyridinyl)-3-(4-fluoro-3-pyridinyl)pyridine

2,4-dichloro-6-(3-chloro-2-pyridinyl)-5-(2,4-dichloro-3-pyridinyl)-3-(4-fluoro-3-pyridinyl)pyridine (PubChem CID 141091275) has the molecular formula C20H8Cl5FN4 and a molecular weight of 500.58 g/mol. Its IUPAC name is 2,4-dichloro-6-(3-chloro-2-pyridinyl)-5-(2,4-dichloro-3-pyridinyl)-3-(4-fluoro-3-pyridinyl)pyridine.

Molecular Properties

Compound Name2,4-dichloro-6-(3-chloro-2-pyridinyl)-5-(2,4-dichloro-3-pyridinyl)-3-(4-fluoro-3-pyridinyl)pyridine
PubChem CID141091275
Molecular FormulaC20H8Cl5FN4
Molecular Weight500.58 g/mol
Exact Mass497.92
IUPAC Name2,4-dichloro-6-(3-chloro-2-pyridinyl)-5-(2,4-dichloro-3-pyridinyl)-3-(4-fluoro-3-pyridinyl)pyridine
SMILESFc1ccncc1-c1c(Cl)nc(-c2ncccc2Cl)c(-c2c(Cl)ccnc2Cl)c1Cl
InChIInChI=1S/C20H8Cl5FN4/c21-10-3-7-29-19(24)14(10)15-16(23)13(9-8-27-6-4-12(9)26)20(25)30-18(15)17-11(22)2-1-5-28-17/h1-8H
InChIKeyMTSVRRJTOMDYHO-UHFFFAOYSA-N
XLogP7.67
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.58
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-6-(3-chloro-2-pyridinyl)-5-(2,4-dichloro-3-pyridinyl)-3-(4-fluoro-3-pyridinyl)pyridine with MolForge

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Related Compounds

4'-Chloro-2,2':6',2''-terpyridine
CID 667748
4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
2,6-Bis(2-pyridyl)-4-phenylpyridine
CID 4407216
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
13-Chloro-2-[1-(pyridin-2-ylmethyl)piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 89474811
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

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(3-chloro-2-pyridinyl)-5-(2,4-dichloro-3-pyridinyl)-3-(4-fluoro-3-pyridinyl)pyridine?
The IUPAC name of 2,4-dichloro-6-(3-chloro-2-pyridinyl)-5-(2,4-dichloro-3-pyridinyl)-3-(4-fluoro-3-pyridinyl)pyridine (CID 141091275) is 2,4-dichloro-6-(3-chloro-2-pyridinyl)-5-(2,4-dichloro-3-pyridinyl)-3-(4-fluoro-3-pyridinyl)pyridine.
What is the SMILES notation for 2,4-dichloro-6-(3-chloro-2-pyridinyl)-5-(2,4-dichloro-3-pyridinyl)-3-(4-fluoro-3-pyridinyl)pyridine?
The canonical SMILES for 2,4-dichloro-6-(3-chloro-2-pyridinyl)-5-(2,4-dichloro-3-pyridinyl)-3-(4-fluoro-3-pyridinyl)pyridine is Fc1ccncc1-c1c(Cl)nc(-c2ncccc2Cl)c(-c2c(Cl)ccnc2Cl)c1Cl.
What is the InChIKey of 2,4-dichloro-6-(3-chloro-2-pyridinyl)-5-(2,4-dichloro-3-pyridinyl)-3-(4-fluoro-3-pyridinyl)pyridine?
The InChIKey is MTSVRRJTOMDYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H8Cl5FN4/c21-10-3-7-29-19(24)14(10)15-16(23)13(9-8-27-6-4-12(9)26)20(25)30-18(15)17-11(22)2-1-5-28-17/h1-8H.
What are the key properties of 2,4-dichloro-6-(3-chloro-2-pyridinyl)-5-(2,4-dichloro-3-pyridinyl)-3-(4-fluoro-3-pyridinyl)pyridine?
2,4-dichloro-6-(3-chloro-2-pyridinyl)-5-(2,4-dichloro-3-pyridinyl)-3-(4-fluoro-3-pyridinyl)pyridine has a molecular weight of 500.58 g/mol, XLogP of 7.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(3-chloro-2-pyridinyl)-5-(2,4-dichloro-3-pyridinyl)-3-(4-fluoro-3-pyridinyl)pyridine is sourced from PubChem (CID 141091275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).