2-[(5-chloro-2-pyridinyl)sulfanyl]-5-iodopyrimidine

C9H5ClIN3S — CID 116649310

IUPAC2-[(5-chloro-2-pyridinyl)sulfanyl]-5-iodopyrimidine
SMILESClc1ccc(Sc2ncc(I)cn2)nc1
InChIInChI=1S/C9H5ClIN3S/c10-6-1-2-8(12-3-6)15-9-13-4-7(11)5-14-9/h1-5H
InChIKeyNOANXVAKKKTQEE-UHFFFAOYSA-N
MW349.58 g/mol
LogP3.28
Rot. Bonds2

About 2-[(5-chloro-2-pyridinyl)sulfanyl]-5-iodopyrimidine

2-[(5-chloro-2-pyridinyl)sulfanyl]-5-iodopyrimidine (PubChem CID 116649310) has the molecular formula C9H5ClIN3S and a molecular weight of 349.58 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)sulfanyl]-5-iodopyrimidine.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)sulfanyl]-5-iodopyrimidine
PubChem CID116649310
Molecular FormulaC9H5ClIN3S
Molecular Weight349.58 g/mol
Exact Mass348.89
IUPAC Name2-[(5-chloro-2-pyridinyl)sulfanyl]-5-iodopyrimidine
SMILESClc1ccc(Sc2ncc(I)cn2)nc1
InChIInChI=1S/C9H5ClIN3S/c10-6-1-2-8(12-3-6)15-9-13-4-7(11)5-14-9/h1-5H
InChIKeyNOANXVAKKKTQEE-UHFFFAOYSA-N
XLogP3.28
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.58
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(5-chloro-2-pyridinyl)sulfanyl]pyridin-2-amine
CID 80653451
5-chloro-2-(2-chlorophenyl)sulfanylpyridine
CID 66218398
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80891433
3-[(5-chloro-2-pyridinyl)sulfanyl]cyclopent-2-en-1-one
CID 104788140
5-[4-[(5-chloro-2-pyridinyl)sulfanyl]-3-iodopyrazol-1-yl]pyrimidine
CID 58302296
5-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 115491247
4-chloro-2-[(5-chloro-2-pyridinyl)sulfanyl]benzaldehyde
CID 114863746
6-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-4-amine
CID 80890451
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-ethylpyrimidin-4-amine
CID 80937974
5-chloro-2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 107754025
6-[(5-chloro-2-pyridinyl)sulfanyl]-N-methylpyrazin-2-amine
CID 80891522
[3-chloro-2-[(5-chloro-2-pyridinyl)sulfanyl]phenyl]methanamine
CID 114070361

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-5-iodopyrimidine?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-5-iodopyrimidine (CID 116649310) is 2-[(5-chloro-2-pyridinyl)sulfanyl]-5-iodopyrimidine.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)sulfanyl]-5-iodopyrimidine?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)sulfanyl]-5-iodopyrimidine is Clc1ccc(Sc2ncc(I)cn2)nc1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)sulfanyl]-5-iodopyrimidine?
The InChIKey is NOANXVAKKKTQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClIN3S/c10-6-1-2-8(12-3-6)15-9-13-4-7(11)5-14-9/h1-5H.
What are the key properties of 2-[(5-chloro-2-pyridinyl)sulfanyl]-5-iodopyrimidine?
2-[(5-chloro-2-pyridinyl)sulfanyl]-5-iodopyrimidine has a molecular weight of 349.58 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)sulfanyl]-5-iodopyrimidine is sourced from PubChem (CID 116649310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).