5-bromo-2-fluoro-3-[(3R,4S)-4-fluoro-3-methyloxan-4-yl]pyridine

C11H12BrF2NO — CID 175797381

IUPAC5-bromo-2-fluoro-3-[(3R,4S)-4-fluoro-3-methyloxan-4-yl]pyridine
SMILESC[C@@H]1COCC[C@@]1(F)c1cc(Br)cnc1F
InChIInChI=1S/C11H12BrF2NO/c1-7-6-16-3-2-11(7,14)9-4-8(12)5-15-10(9)13/h4-5,7H,2-3,6H2,1H3/t7-,11+/m1/s1
InChIKeyYARQWKRJYWAFOT-HQJQHLMTSA-N
MW292.12 g/mol
LogP3.20
Rot. Bonds1

About 5-bromo-2-fluoro-3-[(3R,4S)-4-fluoro-3-methyloxan-4-yl]pyridine

5-bromo-2-fluoro-3-[(3R,4S)-4-fluoro-3-methyloxan-4-yl]pyridine (PubChem CID 175797381) has the molecular formula C11H12BrF2NO and a molecular weight of 292.12 g/mol. Its IUPAC name is 5-bromo-2-fluoro-3-[(3R,4S)-4-fluoro-3-methyloxan-4-yl]pyridine.

Molecular Properties

Compound Name5-bromo-2-fluoro-3-[(3R,4S)-4-fluoro-3-methyloxan-4-yl]pyridine
PubChem CID175797381
Molecular FormulaC11H12BrF2NO
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Name5-bromo-2-fluoro-3-[(3R,4S)-4-fluoro-3-methyloxan-4-yl]pyridine
SMILESC[C@@H]1COCC[C@@]1(F)c1cc(Br)cnc1F
InChIInChI=1S/C11H12BrF2NO/c1-7-6-16-3-2-11(7,14)9-4-8(12)5-15-10(9)13/h4-5,7H,2-3,6H2,1H3/t7-,11+/m1/s1
InChIKeyYARQWKRJYWAFOT-HQJQHLMTSA-N
XLogP3.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-2-fluoro-3-[(3R,4S)-4-fluoro-3-methyloxan-4-yl]pyridine with MolForge

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Related Compounds

CID 166125041
CID 166125041
5-bromo-3-(1,3-dioxolan-2-yl)-2-fluoropyridine
CID 126576136
5-bromo-2-(4-fluorooxan-4-yl)pyrimidine
CID 118141781
[7-(5-bromo-2-fluoro-3-pyridinyl)-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-9-yl]carbamic acid
CID 90301289
(3R,6S)-3-(5-bromo-2-fluoro-3-pyridinyl)-6-cyclopropyl-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 118568423
(1S,5R,6S)-5-(5-bromo-2-fluoro-3-pyridinyl)-5-(fluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine
CID 90413078
5-bromo-3-[3-(difluoromethyl)oxetan-3-yl]-2-methoxypyridine
CID 118949148
(1S,5S,6S)-5-(5-bromo-2-fluoro-3-pyridinyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carbaldehyde
CID 175057361
[(1S,5S,6S)-5-(5-bromo-2-fluoro-3-pyridinyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl]methanol
CID 175062424
tert-butyl 4-(5-chloro-2-fluoro-3-pyridinyl)-4-fluoro-3-methylpiperidine-1-carboxylate
CID 171560605
[3-(5-bromo-2-ethoxy-3-pyridinyl)oxolan-3-yl]methanol
CID 118948736
5-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluoropyridin-2-amine
CID 104923956

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-3-[(3R,4S)-4-fluoro-3-methyloxan-4-yl]pyridine?
The IUPAC name of 5-bromo-2-fluoro-3-[(3R,4S)-4-fluoro-3-methyloxan-4-yl]pyridine (CID 175797381) is 5-bromo-2-fluoro-3-[(3R,4S)-4-fluoro-3-methyloxan-4-yl]pyridine.
What is the SMILES notation for 5-bromo-2-fluoro-3-[(3R,4S)-4-fluoro-3-methyloxan-4-yl]pyridine?
The canonical SMILES for 5-bromo-2-fluoro-3-[(3R,4S)-4-fluoro-3-methyloxan-4-yl]pyridine is C[C@@H]1COCC[C@@]1(F)c1cc(Br)cnc1F.
What is the InChIKey of 5-bromo-2-fluoro-3-[(3R,4S)-4-fluoro-3-methyloxan-4-yl]pyridine?
The InChIKey is YARQWKRJYWAFOT-HQJQHLMTSA-N. The full InChI is InChI=1S/C11H12BrF2NO/c1-7-6-16-3-2-11(7,14)9-4-8(12)5-15-10(9)13/h4-5,7H,2-3,6H2,1H3/t7-,11+/m1/s1.
What are the key properties of 5-bromo-2-fluoro-3-[(3R,4S)-4-fluoro-3-methyloxan-4-yl]pyridine?
5-bromo-2-fluoro-3-[(3R,4S)-4-fluoro-3-methyloxan-4-yl]pyridine has a molecular weight of 292.12 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-3-[(3R,4S)-4-fluoro-3-methyloxan-4-yl]pyridine is sourced from PubChem (CID 175797381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).