3-chloro-2-fluoro-6-[(3R)-3-fluoropyrrolidin-1-yl]-4-iodopyridine

C9H8ClF2IN2 — CID 139405267

IUPAC3-chloro-2-fluoro-6-[(3R)-3-fluoropyrrolidin-1-yl]-4-iodopyridine
SMILESFc1nc(N2CC[C@@H](F)C2)cc(I)c1Cl
InChIInChI=1S/C9H8ClF2IN2/c10-8-6(13)3-7(14-9(8)12)15-2-1-5(11)4-15/h3,5H,1-2,4H2/t5-/m1/s1
InChIKeyOVSQFQYHYBBWJR-RXMQYKEDSA-N
MW344.53 g/mol
LogP3.03
Rot. Bonds1

About 3-chloro-2-fluoro-6-[(3R)-3-fluoropyrrolidin-1-yl]-4-iodopyridine

3-chloro-2-fluoro-6-[(3R)-3-fluoropyrrolidin-1-yl]-4-iodopyridine (PubChem CID 139405267) has the molecular formula C9H8ClF2IN2 and a molecular weight of 344.53 g/mol. Its IUPAC name is 3-chloro-2-fluoro-6-[(3R)-3-fluoropyrrolidin-1-yl]-4-iodopyridine.

Molecular Properties

Compound Name3-chloro-2-fluoro-6-[(3R)-3-fluoropyrrolidin-1-yl]-4-iodopyridine
PubChem CID139405267
Molecular FormulaC9H8ClF2IN2
Molecular Weight344.53 g/mol
Exact Mass343.94
IUPAC Name3-chloro-2-fluoro-6-[(3R)-3-fluoropyrrolidin-1-yl]-4-iodopyridine
SMILESFc1nc(N2CC[C@@H](F)C2)cc(I)c1Cl
InChIInChI=1S/C9H8ClF2IN2/c10-8-6(13)3-7(14-9(8)12)15-2-1-5(11)4-15/h3,5H,1-2,4H2/t5-/m1/s1
InChIKeyOVSQFQYHYBBWJR-RXMQYKEDSA-N
XLogP3.03
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 53.03
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

4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 121200880
2-fluoro-3,4-diiodo-6-pyrrolidin-1-ylpyridine
CID 46318169
1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2-methyl-4-tritylpiperazine
CID 155227612
4-chloro-6-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)pyrimidin-2-amine
CID 167225907
7,8-dichloro-2-[(3R)-3-fluoropyrrolidin-1-yl]-4-imidazol-1-ylquinoline
CID 174164707
1-[2-chloro-6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]ethanone
CID 123690309
4-fluoro-2-[(3S,4R)-4-fluoro-3-methylpiperidin-1-yl]-6-methylpyridine
CID 163675751
(3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine
CID 166093392
6-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 122057812
2-(3-fluoropyrrolidin-1-yl)-6-propan-2-ylpyridine
CID 129154786
2,6-difluoro-4-[(3S)-3-fluoropyrrolidin-1-yl]aniline
CID 170761780
5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 171700855

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-6-[(3R)-3-fluoropyrrolidin-1-yl]-4-iodopyridine?
The IUPAC name of 3-chloro-2-fluoro-6-[(3R)-3-fluoropyrrolidin-1-yl]-4-iodopyridine (CID 139405267) is 3-chloro-2-fluoro-6-[(3R)-3-fluoropyrrolidin-1-yl]-4-iodopyridine.
What is the SMILES notation for 3-chloro-2-fluoro-6-[(3R)-3-fluoropyrrolidin-1-yl]-4-iodopyridine?
The canonical SMILES for 3-chloro-2-fluoro-6-[(3R)-3-fluoropyrrolidin-1-yl]-4-iodopyridine is Fc1nc(N2CC[C@@H](F)C2)cc(I)c1Cl.
What is the InChIKey of 3-chloro-2-fluoro-6-[(3R)-3-fluoropyrrolidin-1-yl]-4-iodopyridine?
The InChIKey is OVSQFQYHYBBWJR-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H8ClF2IN2/c10-8-6(13)3-7(14-9(8)12)15-2-1-5(11)4-15/h3,5H,1-2,4H2/t5-/m1/s1.
What are the key properties of 3-chloro-2-fluoro-6-[(3R)-3-fluoropyrrolidin-1-yl]-4-iodopyridine?
3-chloro-2-fluoro-6-[(3R)-3-fluoropyrrolidin-1-yl]-4-iodopyridine has a molecular weight of 344.53 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-6-[(3R)-3-fluoropyrrolidin-1-yl]-4-iodopyridine is sourced from PubChem (CID 139405267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).