2-iodo-2-pyridin-3-yl-1H-pyrimidine

C9H8IN3 — CID 90357523

IUPAC2-iodo-2-pyridin-3-yl-1H-pyrimidine
SMILESIC1(c2cccnc2)N=CC=CN1
InChIInChI=1S/C9H8IN3/c10-9(12-5-2-6-13-9)8-3-1-4-11-7-8/h1-7,12H
InChIKeyADWIYLAFOCNVKJ-UHFFFAOYSA-N
MW285.09 g/mol
LogP1.81
Rot. Bonds1

About 2-iodo-2-pyridin-3-yl-1H-pyrimidine

2-iodo-2-pyridin-3-yl-1H-pyrimidine (PubChem CID 90357523) has the molecular formula C9H8IN3 and a molecular weight of 285.09 g/mol. Its IUPAC name is 2-iodo-2-pyridin-3-yl-1H-pyrimidine.

Molecular Properties

Compound Name2-iodo-2-pyridin-3-yl-1H-pyrimidine
PubChem CID90357523
Molecular FormulaC9H8IN3
Molecular Weight285.09 g/mol
Exact Mass284.98
IUPAC Name2-iodo-2-pyridin-3-yl-1H-pyrimidine
SMILESIC1(c2cccnc2)N=CC=CN1
InChIInChI=1S/C9H8IN3/c10-9(12-5-2-6-13-9)8-3-1-4-11-7-8/h1-7,12H
InChIKeyADWIYLAFOCNVKJ-UHFFFAOYSA-N
XLogP1.81
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromo-1H-pyridin-2-yl)pyridine
CID 152680196
2-pyridin-3-yl-1H-pyridine-2-carboxylic acid
CID 68861523
3-(3-fluoroazetidin-3-yl)pyridine
CID 112563486
3-(1-chloro-2,2,3,3-tetramethylcyclopropyl)pyridine
CID 13486942
3-(1-fluorocyclobutyl)pyridine
CID 158766896
N-benzyl-2-(2-chloro-2-pyridin-3-yl-1H-pyridin-3-yl)ethanamine
CID 152656916
(1R,5S)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane
CID 10679181
(1S,5R)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane
CID 10583787
ethane;3-(1-methylcyclobutyl)pyridine
CID 142353863
3-(2-methylpiperidin-2-yl)pyridine
CID 23344429
3-propan-2-yl-1-pyridin-3-ylcyclobutan-1-ol
CID 103564024
(4-pyridin-3-ylpiperidin-4-yl)methanamine
CID 80522475

Frequently Asked Questions

What is the IUPAC name of 2-iodo-2-pyridin-3-yl-1H-pyrimidine?
The IUPAC name of 2-iodo-2-pyridin-3-yl-1H-pyrimidine (CID 90357523) is 2-iodo-2-pyridin-3-yl-1H-pyrimidine.
What is the SMILES notation for 2-iodo-2-pyridin-3-yl-1H-pyrimidine?
The canonical SMILES for 2-iodo-2-pyridin-3-yl-1H-pyrimidine is IC1(c2cccnc2)N=CC=CN1.
What is the InChIKey of 2-iodo-2-pyridin-3-yl-1H-pyrimidine?
The InChIKey is ADWIYLAFOCNVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN3/c10-9(12-5-2-6-13-9)8-3-1-4-11-7-8/h1-7,12H.
What are the key properties of 2-iodo-2-pyridin-3-yl-1H-pyrimidine?
2-iodo-2-pyridin-3-yl-1H-pyrimidine has a molecular weight of 285.09 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-2-pyridin-3-yl-1H-pyrimidine is sourced from PubChem (CID 90357523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).