2,5-dichloro-4-iodopyridine;5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine

C15H6Cl4F3IN4 — CID 160998031

IUPAC2,5-dichloro-4-iodopyridine;5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine
SMILESClc1cc(I)c(Cl)cn1.FC(F)(F)c1ncc(-c2cc(Cl)ncc2Cl)cn1
InChIInChI=1S/C10H4Cl2F3N3.C5H2Cl2IN/c11-7-4-16-8(12)1-6(7)5-2-17-9(18-3-5)10(13,14)15;6-3-2-9-5(7)1-4(3)8/h1-4H;1-2H
InChIKeyTVMSNWNVPYPKKY-UHFFFAOYSA-N
MW567.95 g/mol
LogP6.86
Rot. Bonds1

About 2,5-dichloro-4-iodopyridine;5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine

2,5-dichloro-4-iodopyridine;5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 160998031) has the molecular formula C15H6Cl4F3IN4 and a molecular weight of 567.95 g/mol. Its IUPAC name is 2,5-dichloro-4-iodopyridine;5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-iodopyridine;5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine
PubChem CID160998031
Molecular FormulaC15H6Cl4F3IN4
Molecular Weight567.95 g/mol
Exact Mass565.83
IUPAC Name2,5-dichloro-4-iodopyridine;5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine
SMILESClc1cc(I)c(Cl)cn1.FC(F)(F)c1ncc(-c2cc(Cl)ncc2Cl)cn1
InChIInChI=1S/C10H4Cl2F3N3.C5H2Cl2IN/c11-7-4-16-8(12)1-6(7)5-2-17-9(18-3-5)10(13,14)15;6-3-2-9-5(7)1-4(3)8/h1-4H;1-2H
InChIKeyTVMSNWNVPYPKKY-UHFFFAOYSA-N
XLogP6.86
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.95
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(pyridin-2-yl)pyrimidine
CID 1483821
5-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-pyridinyl)pyrimidine
CID 1483822
N-(4-chloro-2,6-difluorobenzyl)-5-(6-chloro-4-methylpyridin-3-yl)pyrimidin-2-amine
CID 89261738
4-Chloro-2-(pyridin-4-yl)-6-(trifluoromethyl)pyrimidine
CID 1485989
5-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(pyridin-3-yl)pyrimidine
CID 1483825
4-Chloro-2-(pyridin-3-yl)-6-(trifluoromethyl)pyrimidine
CID 1485990
4-Chloro-2-(pyridin-2-yl)-6-(pyridin-3-yl)pyrimidine
CID 28309111
4-Chloro-5-[(2-fluorophenyl)methyl]-2-pyridin-3-ylpyrimidine
CID 86668902
5,6-Dichloro-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)pyrimidin-4-amine chloride
CID 399031
6-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 2773911
1-(5-Chloro-6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 2796222
1-(6-Chloro-2-pyridinyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 3693541

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-iodopyridine;5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 2,5-dichloro-4-iodopyridine;5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine (CID 160998031) is 2,5-dichloro-4-iodopyridine;5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-iodopyridine;5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2,5-dichloro-4-iodopyridine;5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine is Clc1cc(I)c(Cl)cn1.FC(F)(F)c1ncc(-c2cc(Cl)ncc2Cl)cn1.
What is the InChIKey of 2,5-dichloro-4-iodopyridine;5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is TVMSNWNVPYPKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2F3N3.C5H2Cl2IN/c11-7-4-16-8(12)1-6(7)5-2-17-9(18-3-5)10(13,14)15;6-3-2-9-5(7)1-4(3)8/h1-4H;1-2H.
What are the key properties of 2,5-dichloro-4-iodopyridine;5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine?
2,5-dichloro-4-iodopyridine;5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 567.95 g/mol, XLogP of 6.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-iodopyridine;5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 160998031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).