4-chloro-5-iodo-6-phenyl-2-pyridin-3-ylpyrimidine

C15H9ClIN3 — CID 66294143

IUPAC4-chloro-5-iodo-6-phenyl-2-pyridin-3-ylpyrimidine
SMILESClc1nc(-c2cccnc2)nc(-c2ccccc2)c1I
InChIInChI=1S/C15H9ClIN3/c16-14-12(17)13(10-5-2-1-3-6-10)19-15(20-14)11-7-4-8-18-9-11/h1-9H
InChIKeyMAODRTJKWBWZIG-UHFFFAOYSA-N
MW393.62 g/mol
LogP4.46
Rot. Bonds2

About 4-chloro-5-iodo-6-phenyl-2-pyridin-3-ylpyrimidine

4-chloro-5-iodo-6-phenyl-2-pyridin-3-ylpyrimidine (PubChem CID 66294143) has the molecular formula C15H9ClIN3 and a molecular weight of 393.62 g/mol. Its IUPAC name is 4-chloro-5-iodo-6-phenyl-2-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-6-phenyl-2-pyridin-3-ylpyrimidine
PubChem CID66294143
Molecular FormulaC15H9ClIN3
Molecular Weight393.62 g/mol
Exact Mass392.95
IUPAC Name4-chloro-5-iodo-6-phenyl-2-pyridin-3-ylpyrimidine
SMILESClc1nc(-c2cccnc2)nc(-c2ccccc2)c1I
InChIInChI=1S/C15H9ClIN3/c16-14-12(17)13(10-5-2-1-3-6-10)19-15(20-14)11-7-4-8-18-9-11/h1-9H
InChIKeyMAODRTJKWBWZIG-UHFFFAOYSA-N
XLogP4.46
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.62
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-methyl-6-phenyl-2-pyridin-3-ylpyrimidine
CID 104845792
2-(2-bromophenyl)-4-chloro-5-iodo-6-phenylpyrimidine
CID 66292715
4-chloro-5-iodo-6-phenyl-2-thiophen-2-ylpyrimidine
CID 66293940
4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-phenylpyrimidine
CID 103570147
4-(2,6-diphenylpyrimidin-4-yl)-6-[4-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-2-pyridin-3-ylpyrimidine
CID 167146178
5-(3-bromophenyl)-4,6-dichloro-2-pyridin-3-ylpyrimidine
CID 79431669
4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-phenylpyrimidine
CID 66313590
(5-methyl-6-phenyl-2-pyridin-3-ylpyrimidin-4-yl)hydrazine
CID 104847099
4-chloro-6-(3-methylimidazol-4-yl)-2-pyridin-3-ylpyrimidine-5-carbonitrile
CID 135388053
2-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]-4,6-dipyridin-3-yl-1,3,5-triazine
CID 153435459
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(5-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 134380728
4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine
CID 102345540

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-iodo-6-phenyl-2-pyridin-3-ylpyrimidine?
The IUPAC name of 4-chloro-5-iodo-6-phenyl-2-pyridin-3-ylpyrimidine (CID 66294143) is 4-chloro-5-iodo-6-phenyl-2-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-6-phenyl-2-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-chloro-5-iodo-6-phenyl-2-pyridin-3-ylpyrimidine is Clc1nc(-c2cccnc2)nc(-c2ccccc2)c1I.
What is the InChIKey of 4-chloro-5-iodo-6-phenyl-2-pyridin-3-ylpyrimidine?
The InChIKey is MAODRTJKWBWZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClIN3/c16-14-12(17)13(10-5-2-1-3-6-10)19-15(20-14)11-7-4-8-18-9-11/h1-9H.
What are the key properties of 4-chloro-5-iodo-6-phenyl-2-pyridin-3-ylpyrimidine?
4-chloro-5-iodo-6-phenyl-2-pyridin-3-ylpyrimidine has a molecular weight of 393.62 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-6-phenyl-2-pyridin-3-ylpyrimidine is sourced from PubChem (CID 66294143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).