2-bromo-6-iodo-3-[(1R,3S)-3-methylcyclopentyl]oxypyridine

C11H13BrINO — CID 170070397

IUPAC2-bromo-6-iodo-3-[(1R,3S)-3-methylcyclopentyl]oxypyridine
SMILESC[C@H]1CC[C@@H](Oc2ccc(I)nc2Br)C1
InChIInChI=1S/C11H13BrINO/c1-7-2-3-8(6-7)15-9-4-5-10(13)14-11(9)12/h4-5,7-8H,2-3,6H2,1H3/t7-,8+/m0/s1
InChIKeyJUGNBKOFCMPPGQ-JGVFFNPUSA-N
MW382.04 g/mol
LogP4.02
Rot. Bonds2

About 2-bromo-6-iodo-3-[(1R,3S)-3-methylcyclopentyl]oxypyridine

2-bromo-6-iodo-3-[(1R,3S)-3-methylcyclopentyl]oxypyridine (PubChem CID 170070397) has the molecular formula C11H13BrINO and a molecular weight of 382.04 g/mol. Its IUPAC name is 2-bromo-6-iodo-3-[(1R,3S)-3-methylcyclopentyl]oxypyridine.

Molecular Properties

Compound Name2-bromo-6-iodo-3-[(1R,3S)-3-methylcyclopentyl]oxypyridine
PubChem CID170070397
Molecular FormulaC11H13BrINO
Molecular Weight382.04 g/mol
Exact Mass380.92
IUPAC Name2-bromo-6-iodo-3-[(1R,3S)-3-methylcyclopentyl]oxypyridine
SMILESC[C@H]1CC[C@@H](Oc2ccc(I)nc2Br)C1
InChIInChI=1S/C11H13BrINO/c1-7-2-3-8(6-7)15-9-4-5-10(13)14-11(9)12/h4-5,7-8H,2-3,6H2,1H3/t7-,8+/m0/s1
InChIKeyJUGNBKOFCMPPGQ-JGVFFNPUSA-N
XLogP4.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.04
LogP ≤ 54.02
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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-iodo-3-[(1R,3S)-3-methylcyclopentyl]oxypyridine?
The IUPAC name of 2-bromo-6-iodo-3-[(1R,3S)-3-methylcyclopentyl]oxypyridine (CID 170070397) is 2-bromo-6-iodo-3-[(1R,3S)-3-methylcyclopentyl]oxypyridine.
What is the SMILES notation for 2-bromo-6-iodo-3-[(1R,3S)-3-methylcyclopentyl]oxypyridine?
The canonical SMILES for 2-bromo-6-iodo-3-[(1R,3S)-3-methylcyclopentyl]oxypyridine is C[C@H]1CC[C@@H](Oc2ccc(I)nc2Br)C1.
What is the InChIKey of 2-bromo-6-iodo-3-[(1R,3S)-3-methylcyclopentyl]oxypyridine?
The InChIKey is JUGNBKOFCMPPGQ-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H13BrINO/c1-7-2-3-8(6-7)15-9-4-5-10(13)14-11(9)12/h4-5,7-8H,2-3,6H2,1H3/t7-,8+/m0/s1.
What are the key properties of 2-bromo-6-iodo-3-[(1R,3S)-3-methylcyclopentyl]oxypyridine?
2-bromo-6-iodo-3-[(1R,3S)-3-methylcyclopentyl]oxypyridine has a molecular weight of 382.04 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-iodo-3-[(1R,3S)-3-methylcyclopentyl]oxypyridine is sourced from PubChem (CID 170070397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).