4-chloro-6-(2,3,5-trichlorophenyl)pyrimidine

C10H4Cl4N2 — CID 24902237

IUPAC4-chloro-6-(2,3,5-trichlorophenyl)pyrimidine
SMILESClc1cc(Cl)c(Cl)c(-c2cc(Cl)ncn2)c1
InChIInChI=1S/C10H4Cl4N2/c11-5-1-6(10(14)7(12)2-5)8-3-9(13)16-4-15-8/h1-4H
InChIKeyKBSUUNPDQREEHZ-UHFFFAOYSA-N
MW293.97 g/mol
LogP4.76
Rot. Bonds1

About 4-chloro-6-(2,3,5-trichlorophenyl)pyrimidine

4-chloro-6-(2,3,5-trichlorophenyl)pyrimidine (PubChem CID 24902237) has the molecular formula C10H4Cl4N2 and a molecular weight of 293.97 g/mol. Its IUPAC name is 4-chloro-6-(2,3,5-trichlorophenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,3,5-trichlorophenyl)pyrimidine
PubChem CID24902237
Molecular FormulaC10H4Cl4N2
Molecular Weight293.97 g/mol
Exact Mass291.91
IUPAC Name4-chloro-6-(2,3,5-trichlorophenyl)pyrimidine
SMILESClc1cc(Cl)c(Cl)c(-c2cc(Cl)ncn2)c1
InChIInChI=1S/C10H4Cl4N2/c11-5-1-6(10(14)7(12)2-5)8-3-9(13)16-4-15-8/h1-4H
InChIKeyKBSUUNPDQREEHZ-UHFFFAOYSA-N
XLogP4.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.97
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-iodo-2,5-bis(2,3,5-trichlorophenyl)pyridine
CID 134637060
4-chloro-6-(2-chloro-4-fluorophenyl)pyrimidine
CID 24902070
2,5-bis(2,3,5-trichlorophenyl)pyridine
CID 134637222
4-chloro-6-(4-chloro-2-methylphenyl)pyrimidine
CID 24902067
4-chloro-6-(3-chloro-5-fluorophenyl)pyrimidine
CID 24902118
2-[5-fluoro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134637610
4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134637430
3-(6-chloropyrimidin-4-yl)-4-fluorobenzaldehyde
CID 24902161
4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine
CID 115502919
2-[2,6-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637241
methyl 5-amino-2-(2,3,5-trichlorophenyl)pyridine-4-carboxylate
CID 133087054
2-chloro-5-(2,3,5-trichlorophenyl)pyridin-3-amine
CID 134636944

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,3,5-trichlorophenyl)pyrimidine?
The IUPAC name of 4-chloro-6-(2,3,5-trichlorophenyl)pyrimidine (CID 24902237) is 4-chloro-6-(2,3,5-trichlorophenyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(2,3,5-trichlorophenyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(2,3,5-trichlorophenyl)pyrimidine is Clc1cc(Cl)c(Cl)c(-c2cc(Cl)ncn2)c1.
What is the InChIKey of 4-chloro-6-(2,3,5-trichlorophenyl)pyrimidine?
The InChIKey is KBSUUNPDQREEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl4N2/c11-5-1-6(10(14)7(12)2-5)8-3-9(13)16-4-15-8/h1-4H.
What are the key properties of 4-chloro-6-(2,3,5-trichlorophenyl)pyrimidine?
4-chloro-6-(2,3,5-trichlorophenyl)pyrimidine has a molecular weight of 293.97 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,3,5-trichlorophenyl)pyrimidine is sourced from PubChem (CID 24902237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).