2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-5-iodopyrimidine

C9H9FIN3 — CID 130964286

IUPAC2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-5-iodopyrimidine
SMILESFC1=CCCN(c2ncc(I)cn2)C1
InChIInChI=1S/C9H9FIN3/c10-7-2-1-3-14(6-7)9-12-4-8(11)5-13-9/h2,4-5H,1,3,6H2
InChIKeyYGGKLAOTLMNKCK-UHFFFAOYSA-N
MW305.09 g/mol
LogP2.14
Rot. Bonds1

About 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-5-iodopyrimidine

2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-5-iodopyrimidine (PubChem CID 130964286) has the molecular formula C9H9FIN3 and a molecular weight of 305.09 g/mol. Its IUPAC name is 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-5-iodopyrimidine.

Molecular Properties

Compound Name2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-5-iodopyrimidine
PubChem CID130964286
Molecular FormulaC9H9FIN3
Molecular Weight305.09 g/mol
Exact Mass304.98
IUPAC Name2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-5-iodopyrimidine
SMILESFC1=CCCN(c2ncc(I)cn2)C1
InChIInChI=1S/C9H9FIN3/c10-7-2-1-3-14(6-7)9-12-4-8(11)5-13-9/h2,4-5H,1,3,6H2
InChIKeyYGGKLAOTLMNKCK-UHFFFAOYSA-N
XLogP2.14
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.09
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

2-(5-iodopyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 115620482
(3R)-1-(5-iodopyrimidin-2-yl)pyrrolidin-3-ol
CID 104843548
5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 104843946
2-[(3R)-4-(5-fluoropyrimidin-2-yl)-3-methylpiperazin-1-yl]-5-iodopyrimidine
CID 178161798
2-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]-5-iodopyrimidine
CID 178161769
5-iodo-2-(3-methylpiperazin-1-yl)pyrimidine
CID 116648329
5-fluoro-2-pyrrolidin-1-ylpyrimidine
CID 91819592
2-(3-ethylpyrrolidin-1-yl)-5-iodopyrimidine
CID 104844112
3-[4-(5-iodopyrimidin-2-yl)piperazin-1-yl]aniline
CID 116648720
2-(3-ethyl-3-methylpyrrolidin-1-yl)-5-iodopyrimidine
CID 131010619
2-[4-(5-iodopyrimidin-2-yl)piperazin-1-yl]propanenitrile
CID 116648272
1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-amine
CID 116648605

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-5-iodopyrimidine?
The IUPAC name of 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-5-iodopyrimidine (CID 130964286) is 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-5-iodopyrimidine.
What is the SMILES notation for 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-5-iodopyrimidine?
The canonical SMILES for 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-5-iodopyrimidine is FC1=CCCN(c2ncc(I)cn2)C1.
What is the InChIKey of 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-5-iodopyrimidine?
The InChIKey is YGGKLAOTLMNKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FIN3/c10-7-2-1-3-14(6-7)9-12-4-8(11)5-13-9/h2,4-5H,1,3,6H2.
What are the key properties of 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-5-iodopyrimidine?
2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-5-iodopyrimidine has a molecular weight of 305.09 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 2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-5-iodopyrimidine is sourced from PubChem (CID 130964286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).