4-iodo-6-pyridin-3-ylpyrimidine

C9H6IN3 — CID 51355283

IUPAC4-iodo-6-pyridin-3-ylpyrimidine
SMILESIc1cc(-c2cccnc2)ncn1
InChIInChI=1S/C9H6IN3/c10-9-4-8(12-6-13-9)7-2-1-3-11-5-7/h1-6H
InChIKeyKKGZFIFRYLJNRY-UHFFFAOYSA-N
MW283.07 g/mol
LogP2.14
Rot. Bonds1

About 4-iodo-6-pyridin-3-ylpyrimidine

4-iodo-6-pyridin-3-ylpyrimidine (PubChem CID 51355283) has the molecular formula C9H6IN3 and a molecular weight of 283.07 g/mol. Its IUPAC name is 4-iodo-6-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-iodo-6-pyridin-3-ylpyrimidine
PubChem CID51355283
Molecular FormulaC9H6IN3
Molecular Weight283.07 g/mol
Exact Mass282.96
IUPAC Name4-iodo-6-pyridin-3-ylpyrimidine
SMILESIc1cc(-c2cccnc2)ncn1
InChIInChI=1S/C9H6IN3/c10-9-4-8(12-6-13-9)7-2-1-3-11-5-7/h1-6H
InChIKeyKKGZFIFRYLJNRY-UHFFFAOYSA-N
XLogP2.14
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.07
LogP ≤ 52.14
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

(6-pyridin-3-ylpyrimidin-4-yl)methanamine
CID 82405865
4-(2-bromophenyl)-6-pyridin-3-ylpyrimidine
CID 162656267
5-pyridin-3-yl-1,2,4-triazine
CID 141083595
N-methyl-1-(6-pyridin-3-ylpyrimidin-4-yl)methanamine
CID 83847968
1-(6-pyridin-3-ylpyrimidin-4-yl)propan-2-amine
CID 83849087
2-iodo-5-pyridin-3-ylpyridine
CID 46315910
3-phenyl-6-pyridin-3-ylpyridazine
CID 12712239
2,4-diphenyl-6-pyridin-3-ylpyridine
CID 3477432
2,6-dipyridin-3-ylpyridine
CID 13349632
2-pyridin-3-ylpyridine;dihydrochloride
CID 67024611
4,6-diphenylpyrimidine;iridium(3+)
CID 160559843
8-(6-iodopyrimidin-4-yl)quinoline
CID 51355843

Frequently Asked Questions

What is the IUPAC name of 4-iodo-6-pyridin-3-ylpyrimidine?
The IUPAC name of 4-iodo-6-pyridin-3-ylpyrimidine (CID 51355283) is 4-iodo-6-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-iodo-6-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-iodo-6-pyridin-3-ylpyrimidine is Ic1cc(-c2cccnc2)ncn1.
What is the InChIKey of 4-iodo-6-pyridin-3-ylpyrimidine?
The InChIKey is KKGZFIFRYLJNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6IN3/c10-9-4-8(12-6-13-9)7-2-1-3-11-5-7/h1-6H.
What are the key properties of 4-iodo-6-pyridin-3-ylpyrimidine?
4-iodo-6-pyridin-3-ylpyrimidine has a molecular weight of 283.07 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-6-pyridin-3-ylpyrimidine is sourced from PubChem (CID 51355283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).