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

C9H3Cl3IN3 — CID 103443010

IUPAC4,6-dichloro-2-(3-chloro-2-pyridinyl)-5-iodopyrimidine
SMILESClc1cccnc1-c1nc(Cl)c(I)c(Cl)n1
InChIInChI=1S/C9H3Cl3IN3/c10-4-2-1-3-14-6(4)9-15-7(11)5(13)8(12)16-9/h1-3H
InChIKeyYFEGYUQSHHIGNN-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.10
Rot. Bonds1

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

4,6-dichloro-2-(3-chloro-2-pyridinyl)-5-iodopyrimidine (PubChem CID 103443010) has the molecular formula C9H3Cl3IN3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 4,6-dichloro-2-(3-chloro-2-pyridinyl)-5-iodopyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(3-chloro-2-pyridinyl)-5-iodopyrimidine
PubChem CID103443010
Molecular FormulaC9H3Cl3IN3
Molecular Weight386.41 g/mol
Exact Mass384.84
IUPAC Name4,6-dichloro-2-(3-chloro-2-pyridinyl)-5-iodopyrimidine
SMILESClc1cccnc1-c1nc(Cl)c(I)c(Cl)n1
InChIInChI=1S/C9H3Cl3IN3/c10-4-2-1-3-14-6(4)9-15-7(11)5(13)8(12)16-9/h1-3H
InChIKeyYFEGYUQSHHIGNN-UHFFFAOYSA-N
XLogP4.10
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.10
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-2-(3-chloro-2-pyridinyl)-6-cyclopentyl-5-iodopyrimidine
CID 103443032
2-(3-chloro-2-pyridinyl)-5-iodo-6-phenylpyrimidin-4-amine
CID 103445120
3-chloro-2-(3-chloro-2-pyridinyl)pyridine;palladium(2+)
CID 18935247
2-(3-chloro-2-pyridinyl)-5-iodo-N-methylpyrimidin-4-amine
CID 103445166
2-(3-chloro-2-pyridinyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 103445159
2-(3-chloro-2-pyridinyl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 103445182
2-[3-(3-chloro-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 103445373
4,6-dichloro-2-(3-methyl-2-pyridinyl)-5-phenylpyrimidine
CID 65430629
2-(3-chloro-2-pyridinyl)-5-iodo-4-propyl-1H-pyrimidin-6-one
CID 136847774
azane;2,3-dichloropyridine
CID 174689212
N-[[2-(3-chloro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 103445354
[2-(3-chloro-2-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine
CID 114206169

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(3-chloro-2-pyridinyl)-5-iodopyrimidine?
The IUPAC name of 4,6-dichloro-2-(3-chloro-2-pyridinyl)-5-iodopyrimidine (CID 103443010) is 4,6-dichloro-2-(3-chloro-2-pyridinyl)-5-iodopyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(3-chloro-2-pyridinyl)-5-iodopyrimidine?
The canonical SMILES for 4,6-dichloro-2-(3-chloro-2-pyridinyl)-5-iodopyrimidine is Clc1cccnc1-c1nc(Cl)c(I)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(3-chloro-2-pyridinyl)-5-iodopyrimidine?
The InChIKey is YFEGYUQSHHIGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl3IN3/c10-4-2-1-3-14-6(4)9-15-7(11)5(13)8(12)16-9/h1-3H.
What are the key properties of 4,6-dichloro-2-(3-chloro-2-pyridinyl)-5-iodopyrimidine?
4,6-dichloro-2-(3-chloro-2-pyridinyl)-5-iodopyrimidine has a molecular weight of 386.41 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(3-chloro-2-pyridinyl)-5-iodopyrimidine is sourced from PubChem (CID 103443010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).