2-chloro-6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine;2,6-dichloro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine

C22H10Cl3F7N4 — CID 157175644

IUPAC2-chloro-6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine;2,6-dichloro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(Cl)nc(Cl)c2)nc1.Fc1cc(-c2ccc(C(F)(F)F)cn2)cc(Cl)n1
InChIInChI=1S/C11H5Cl2F3N2.C11H5ClF4N2/c2*12-9-3-6(4-10(13)18-9)8-2-1-7(5-17-8)11(14,15)16/h2*1-5H
InChIKeyANYVLOHVLKKHPV-UHFFFAOYSA-N
MW569.70 g/mol
LogP8.42
Rot. Bonds2

About 2-chloro-6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine;2,6-dichloro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine

2-chloro-6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine;2,6-dichloro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine (PubChem CID 157175644) has the molecular formula C22H10Cl3F7N4 and a molecular weight of 569.70 g/mol. Its IUPAC name is 2-chloro-6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine;2,6-dichloro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine;2,6-dichloro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine
PubChem CID157175644
Molecular FormulaC22H10Cl3F7N4
Molecular Weight569.70 g/mol
Exact Mass567.99
IUPAC Name2-chloro-6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine;2,6-dichloro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(Cl)nc(Cl)c2)nc1.Fc1cc(-c2ccc(C(F)(F)F)cn2)cc(Cl)n1
InChIInChI=1S/C11H5Cl2F3N2.C11H5ClF4N2/c2*12-9-3-6(4-10(13)18-9)8-2-1-7(5-17-8)11(14,15)16/h2*1-5H
InChIKeyANYVLOHVLKKHPV-UHFFFAOYSA-N
XLogP8.42
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.70
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine;2,6-dichloro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
2,2':4',2''-Terpyridine, 6'-(2-pyridinyl)-
CID 9972674
3-(2,2-Dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 66829417
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
1,2-Bis(4'-methyl-2,2'-bipyridin-4-yl)ethane
CID 15771932
2,4,6-Tri(pyridin-4-yl)pyridine
CID 46317148
N,N-bis[(2-chloro-6-fluoroquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
CID 162651803

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine;2,6-dichloro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine?
The IUPAC name of 2-chloro-6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine;2,6-dichloro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine (CID 157175644) is 2-chloro-6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine;2,6-dichloro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 2-chloro-6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine;2,6-dichloro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine?
The canonical SMILES for 2-chloro-6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine;2,6-dichloro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine is FC(F)(F)c1ccc(-c2cc(Cl)nc(Cl)c2)nc1.Fc1cc(-c2ccc(C(F)(F)F)cn2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine;2,6-dichloro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine?
The InChIKey is ANYVLOHVLKKHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F3N2.C11H5ClF4N2/c2*12-9-3-6(4-10(13)18-9)8-2-1-7(5-17-8)11(14,15)16/h2*1-5H.
What are the key properties of 2-chloro-6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine;2,6-dichloro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine?
2-chloro-6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine;2,6-dichloro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine has a molecular weight of 569.70 g/mol, XLogP of 8.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine;2,6-dichloro-4-[5-(trifluoromethyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 157175644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).