5-[[(2R)-1-(2-bromo-4-chlorophenyl)propan-2-yl]oxymethyl]-4-iodo-2-methoxypyridine

C16H16BrClINO2 — CID 150903001

IUPAC5-[[(2R)-1-(2-bromo-4-chlorophenyl)propan-2-yl]oxymethyl]-4-iodo-2-methoxypyridine
SMILESCOc1cc(I)c(CO[C@H](C)Cc2ccc(Cl)cc2Br)cn1
InChIInChI=1S/C16H16BrClINO2/c1-10(5-11-3-4-13(18)6-14(11)17)22-9-12-8-20-16(21-2)7-15(12)19/h3-4,6-8,10H,5,9H2,1-2H3/t10-/m1/s1
InChIKeyLAJWIIUQYADELX-SNVBAGLBSA-N
MW496.57 g/mol
LogP5.26
Rot. Bonds6

About 5-[[(2R)-1-(2-bromo-4-chlorophenyl)propan-2-yl]oxymethyl]-4-iodo-2-methoxypyridine

5-[[(2R)-1-(2-bromo-4-chlorophenyl)propan-2-yl]oxymethyl]-4-iodo-2-methoxypyridine (PubChem CID 150903001) has the molecular formula C16H16BrClINO2 and a molecular weight of 496.57 g/mol. Its IUPAC name is 5-[[(2R)-1-(2-bromo-4-chlorophenyl)propan-2-yl]oxymethyl]-4-iodo-2-methoxypyridine.

Molecular Properties

Compound Name5-[[(2R)-1-(2-bromo-4-chlorophenyl)propan-2-yl]oxymethyl]-4-iodo-2-methoxypyridine
PubChem CID150903001
Molecular FormulaC16H16BrClINO2
Molecular Weight496.57 g/mol
Exact Mass494.91
IUPAC Name5-[[(2R)-1-(2-bromo-4-chlorophenyl)propan-2-yl]oxymethyl]-4-iodo-2-methoxypyridine
SMILESCOc1cc(I)c(CO[C@H](C)Cc2ccc(Cl)cc2Br)cn1
InChIInChI=1S/C16H16BrClINO2/c1-10(5-11-3-4-13(18)6-14(11)17)22-9-12-8-20-16(21-2)7-15(12)19/h3-4,6-8,10H,5,9H2,1-2H3/t10-/m1/s1
InChIKeyLAJWIIUQYADELX-SNVBAGLBSA-N
XLogP5.26
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.57
LogP ≤ 55.26
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

5-[[3-(2-bromo-4-chlorophenyl)-1,1-difluoropropan-2-yl]oxymethyl]-2-methoxy-4-methylpyridine
CID 154954240
1-(2-bromo-4-chlorophenyl)-3-methylbutan-2-amine
CID 115347459
4-iodo-2-methoxy-5-(methylsulfanylmethyl)pyridine
CID 169098887
N-[(2-bromo-5-chlorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 66161046
5-[2-[(2-bromo-4-chloro-3-fluorophenyl)methyl]-3,3,3-trifluoropropoxy]-4-iodo-2-methoxypyridine
CID 154943236
4-chloro-5-iodo-2-methoxypyridine
CID 58204595
4-bromo-5-chloro-2-methoxypyridine
CID 70700260
1-(4-chloro-2-iodophenyl)propan-2-amine
CID 130001695
4-[2-chloro-2-(5-chloro-2-iodophenyl)ethyl]-6-methoxypyrimidine
CID 114029843
2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950327
2-bromo-4-methoxy-1-(2-methylpropyl)benzene
CID 59138230
2-bromo-4-chloro-1-(ethylsulfanylmethyl)benzene
CID 117221392

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-1-(2-bromo-4-chlorophenyl)propan-2-yl]oxymethyl]-4-iodo-2-methoxypyridine?
The IUPAC name of 5-[[(2R)-1-(2-bromo-4-chlorophenyl)propan-2-yl]oxymethyl]-4-iodo-2-methoxypyridine (CID 150903001) is 5-[[(2R)-1-(2-bromo-4-chlorophenyl)propan-2-yl]oxymethyl]-4-iodo-2-methoxypyridine.
What is the SMILES notation for 5-[[(2R)-1-(2-bromo-4-chlorophenyl)propan-2-yl]oxymethyl]-4-iodo-2-methoxypyridine?
The canonical SMILES for 5-[[(2R)-1-(2-bromo-4-chlorophenyl)propan-2-yl]oxymethyl]-4-iodo-2-methoxypyridine is COc1cc(I)c(CO[C@H](C)Cc2ccc(Cl)cc2Br)cn1.
What is the InChIKey of 5-[[(2R)-1-(2-bromo-4-chlorophenyl)propan-2-yl]oxymethyl]-4-iodo-2-methoxypyridine?
The InChIKey is LAJWIIUQYADELX-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16BrClINO2/c1-10(5-11-3-4-13(18)6-14(11)17)22-9-12-8-20-16(21-2)7-15(12)19/h3-4,6-8,10H,5,9H2,1-2H3/t10-/m1/s1.
What are the key properties of 5-[[(2R)-1-(2-bromo-4-chlorophenyl)propan-2-yl]oxymethyl]-4-iodo-2-methoxypyridine?
5-[[(2R)-1-(2-bromo-4-chlorophenyl)propan-2-yl]oxymethyl]-4-iodo-2-methoxypyridine has a molecular weight of 496.57 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-1-(2-bromo-4-chlorophenyl)propan-2-yl]oxymethyl]-4-iodo-2-methoxypyridine is sourced from PubChem (CID 150903001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).