2-[(3-fluoropyrrolidin-1-yl)methyl]-6-iodopyridine

C10H12FIN2 — CID 90305502

IUPAC2-[(3-fluoropyrrolidin-1-yl)methyl]-6-iodopyridine
SMILESFC1CCN(Cc2cccc(I)n2)C1
InChIInChI=1S/C10H12FIN2/c11-8-4-5-14(6-8)7-9-2-1-3-10(12)13-9/h1-3,8H,4-7H2
InChIKeyBBZMIHWEFKXKMU-UHFFFAOYSA-N
MW306.12 g/mol
LogP2.23
Rot. Bonds2

About 2-[(3-fluoropyrrolidin-1-yl)methyl]-6-iodopyridine

2-[(3-fluoropyrrolidin-1-yl)methyl]-6-iodopyridine (PubChem CID 90305502) has the molecular formula C10H12FIN2 and a molecular weight of 306.12 g/mol. Its IUPAC name is 2-[(3-fluoropyrrolidin-1-yl)methyl]-6-iodopyridine.

Molecular Properties

Compound Name2-[(3-fluoropyrrolidin-1-yl)methyl]-6-iodopyridine
PubChem CID90305502
Molecular FormulaC10H12FIN2
Molecular Weight306.12 g/mol
Exact Mass306.00
IUPAC Name2-[(3-fluoropyrrolidin-1-yl)methyl]-6-iodopyridine
SMILESFC1CCN(Cc2cccc(I)n2)C1
InChIInChI=1S/C10H12FIN2/c11-8-4-5-14(6-8)7-9-2-1-3-10(12)13-9/h1-3,8H,4-7H2
InChIKeyBBZMIHWEFKXKMU-UHFFFAOYSA-N
XLogP2.23
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine
CID 90379546
2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 79037923
2-methyl-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 74234895
(3R)-1-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-ol
CID 131002661
[6-[(3,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 106907162
5-tert-butyl-2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyridine
CID 118632947
[1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol
CID 79037993
6-[(3-aminopyrrolidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909083
[6-[(3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 79242934
4-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-amine
CID 79260870
[6-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 79233890
6-[[(3R)-3-(trifluoromethylsulfonyl)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 90305518

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoropyrrolidin-1-yl)methyl]-6-iodopyridine?
The IUPAC name of 2-[(3-fluoropyrrolidin-1-yl)methyl]-6-iodopyridine (CID 90305502) is 2-[(3-fluoropyrrolidin-1-yl)methyl]-6-iodopyridine.
What is the SMILES notation for 2-[(3-fluoropyrrolidin-1-yl)methyl]-6-iodopyridine?
The canonical SMILES for 2-[(3-fluoropyrrolidin-1-yl)methyl]-6-iodopyridine is FC1CCN(Cc2cccc(I)n2)C1.
What is the InChIKey of 2-[(3-fluoropyrrolidin-1-yl)methyl]-6-iodopyridine?
The InChIKey is BBZMIHWEFKXKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FIN2/c11-8-4-5-14(6-8)7-9-2-1-3-10(12)13-9/h1-3,8H,4-7H2.
What are the key properties of 2-[(3-fluoropyrrolidin-1-yl)methyl]-6-iodopyridine?
2-[(3-fluoropyrrolidin-1-yl)methyl]-6-iodopyridine has a molecular weight of 306.12 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoropyrrolidin-1-yl)methyl]-6-iodopyridine is sourced from PubChem (CID 90305502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).