2-[1-bromo-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine

C15H15BrClNO — CID 66453990

IUPAC2-[1-bromo-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine
SMILESCOc1cc(Cl)ccc1C(Br)C(C)c1ccccn1
InChIInChI=1S/C15H15BrClNO/c1-10(13-5-3-4-8-18-13)15(16)12-7-6-11(17)9-14(12)19-2/h3-10,15H,1-2H3
InChIKeyNVUWXUQYLKLQLP-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.98
Rot. Bonds4

About 2-[1-bromo-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine

2-[1-bromo-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine (PubChem CID 66453990) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 2-[1-bromo-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-bromo-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine
PubChem CID66453990
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name2-[1-bromo-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine
SMILESCOc1cc(Cl)ccc1C(Br)C(C)c1ccccn1
InChIInChI=1S/C15H15BrClNO/c1-10(13-5-3-4-8-18-13)15(16)12-7-6-11(17)9-14(12)19-2/h3-10,15H,1-2H3
InChIKeyNVUWXUQYLKLQLP-UHFFFAOYSA-N
XLogP4.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[1-bromo-1-(4-bromo-2-methoxyphenyl)propan-2-yl]pyridine
CID 113296265
3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-ol
CID 80527014
2-[1-bromo-1-(2-bromo-5-methoxyphenyl)propan-2-yl]pyridine
CID 66452706
2-[1-bromo-1-(2-chlorophenyl)propan-2-yl]pyridine
CID 66453993
2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine
CID 66454421
1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-one
CID 66448751
2-[1-bromo-1-(2,3-dichlorophenyl)propan-2-yl]pyridine
CID 66454208
1-(2-bromo-4-chlorophenyl)-2-pyridin-2-ylpropan-1-ol
CID 107995601
2-[1-bromo-1-(2,5-dimethylphenyl)propan-2-yl]pyridine
CID 66454426
1-(4-chloro-2-fluorophenyl)-N-methyl-2-pyridin-2-ylpropan-1-amine
CID 66448579
2-[1-bromo-1-(2-chloro-6-fluorophenyl)propan-2-yl]pyridine
CID 66454214
2-[1-bromo-1-(2,6-difluorophenyl)propan-2-yl]pyridine
CID 66455083

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine?
The IUPAC name of 2-[1-bromo-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine (CID 66453990) is 2-[1-bromo-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine.
What is the SMILES notation for 2-[1-bromo-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine?
The canonical SMILES for 2-[1-bromo-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine is COc1cc(Cl)ccc1C(Br)C(C)c1ccccn1.
What is the InChIKey of 2-[1-bromo-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine?
The InChIKey is NVUWXUQYLKLQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-10(13-5-3-4-8-18-13)15(16)12-7-6-11(17)9-14(12)19-2/h3-10,15H,1-2H3.
What are the key properties of 2-[1-bromo-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine?
2-[1-bromo-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine has a molecular weight of 340.65 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine is sourced from PubChem (CID 66453990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).