2-iodo-4-(pyridin-2-ylmethyl)-1,3,5-triazine

C9H7IN4 — CID 134267009

IUPAC2-iodo-4-(pyridin-2-ylmethyl)-1,3,5-triazine
SMILESIc1ncnc(Cc2ccccn2)n1
InChIInChI=1S/C9H7IN4/c10-9-13-6-12-8(14-9)5-7-3-1-2-4-11-7/h1-4,6H,5H2
InChIKeyADIOTLFZMXBYOW-UHFFFAOYSA-N
MW298.09 g/mol
LogP1.46
Rot. Bonds2

About 2-iodo-4-(pyridin-2-ylmethyl)-1,3,5-triazine

2-iodo-4-(pyridin-2-ylmethyl)-1,3,5-triazine (PubChem CID 134267009) has the molecular formula C9H7IN4 and a molecular weight of 298.09 g/mol. Its IUPAC name is 2-iodo-4-(pyridin-2-ylmethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-iodo-4-(pyridin-2-ylmethyl)-1,3,5-triazine
PubChem CID134267009
Molecular FormulaC9H7IN4
Molecular Weight298.09 g/mol
Exact Mass297.97
IUPAC Name2-iodo-4-(pyridin-2-ylmethyl)-1,3,5-triazine
SMILESIc1ncnc(Cc2ccccn2)n1
InChIInChI=1S/C9H7IN4/c10-9-13-6-12-8(14-9)5-7-3-1-2-4-11-7/h1-4,6H,5H2
InChIKeyADIOTLFZMXBYOW-UHFFFAOYSA-N
XLogP1.46
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.09
LogP ≤ 51.46
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

5-iodo-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazole
CID 102618578
2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine
CID 102075718
N-methyl-1-[4-methyl-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]ethanamine
CID 62769957
N-methyl-1-[5-methyl-2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methanamine
CID 114245179
4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole
CID 31263387
[4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methanol
CID 114205178
5-(chloromethyl)-4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidine
CID 114205492
2-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 135336159
(S)-phenyl-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 28538355
[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 62596515
2-methyl-N-[[2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 62747219
iridium(3+);tris(2-(phenylmethyl)pyridine)
CID 58843926

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-(pyridin-2-ylmethyl)-1,3,5-triazine?
The IUPAC name of 2-iodo-4-(pyridin-2-ylmethyl)-1,3,5-triazine (CID 134267009) is 2-iodo-4-(pyridin-2-ylmethyl)-1,3,5-triazine.
What is the SMILES notation for 2-iodo-4-(pyridin-2-ylmethyl)-1,3,5-triazine?
The canonical SMILES for 2-iodo-4-(pyridin-2-ylmethyl)-1,3,5-triazine is Ic1ncnc(Cc2ccccn2)n1.
What is the InChIKey of 2-iodo-4-(pyridin-2-ylmethyl)-1,3,5-triazine?
The InChIKey is ADIOTLFZMXBYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN4/c10-9-13-6-12-8(14-9)5-7-3-1-2-4-11-7/h1-4,6H,5H2.
What are the key properties of 2-iodo-4-(pyridin-2-ylmethyl)-1,3,5-triazine?
2-iodo-4-(pyridin-2-ylmethyl)-1,3,5-triazine has a molecular weight of 298.09 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-(pyridin-2-ylmethyl)-1,3,5-triazine is sourced from PubChem (CID 134267009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).