1-bromo-3-[3-chloro-4-(pyridin-3-yloxymethyl)phenyl]propan-2-ol

C15H15BrClNO2 — CID 171773463

IUPAC1-bromo-3-[3-chloro-4-(pyridin-3-yloxymethyl)phenyl]propan-2-ol
SMILESOC(CBr)Cc1ccc(COc2cccnc2)c(Cl)c1
InChIInChI=1S/C15H15BrClNO2/c16-8-13(19)6-11-3-4-12(15(17)7-11)10-20-14-2-1-5-18-9-14/h1-5,7,9,13,19H,6,8,10H2
InChIKeyNNXNZZNDHXFPQJ-UHFFFAOYSA-N
MW356.65 g/mol
LogP3.61
Rot. Bonds6

About 1-bromo-3-[3-chloro-4-(pyridin-3-yloxymethyl)phenyl]propan-2-ol

1-bromo-3-[3-chloro-4-(pyridin-3-yloxymethyl)phenyl]propan-2-ol (PubChem CID 171773463) has the molecular formula C15H15BrClNO2 and a molecular weight of 356.65 g/mol. Its IUPAC name is 1-bromo-3-[3-chloro-4-(pyridin-3-yloxymethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-bromo-3-[3-chloro-4-(pyridin-3-yloxymethyl)phenyl]propan-2-ol
PubChem CID171773463
Molecular FormulaC15H15BrClNO2
Molecular Weight356.65 g/mol
Exact Mass355.00
IUPAC Name1-bromo-3-[3-chloro-4-(pyridin-3-yloxymethyl)phenyl]propan-2-ol
SMILESOC(CBr)Cc1ccc(COc2cccnc2)c(Cl)c1
InChIInChI=1S/C15H15BrClNO2/c16-8-13(19)6-11-3-4-12(15(17)7-11)10-20-14-2-1-5-18-9-14/h1-5,7,9,13,19H,6,8,10H2
InChIKeyNNXNZZNDHXFPQJ-UHFFFAOYSA-N
XLogP3.61
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-chloro-4-[(2,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]pyridine
CID 57129774
1-(2-chloro-4-fluorophenyl)-3-pyridin-3-ylpropan-2-ol
CID 62608464
4-(pyridin-3-yloxymethyl)benzene-1,3-diol
CID 117219782
2-chloro-5-(pyridin-3-yloxymethyl)aniline
CID 117221990
1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol
CID 106868066
3-[(2-bromo-4-nitrophenyl)methoxy]pyridine
CID 112558785
3-[(4-methylphenyl)methoxy]pyridine
CID 58445986
[3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]phenyl]methanol
CID 102663566
2-methyl-4-(pyridin-3-yloxymethyl)aniline
CID 117220552
3-chloro-4-[(3-hydroxyphenoxy)methyl]phenol
CID 117219618
3-[(4-chloro-1-benzothiophen-3-yl)methoxy]pyridine
CID 117170950
N-methyl-1-[2-(pyridin-3-yloxymethyl)phenyl]methanamine
CID 62451935

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[3-chloro-4-(pyridin-3-yloxymethyl)phenyl]propan-2-ol?
The IUPAC name of 1-bromo-3-[3-chloro-4-(pyridin-3-yloxymethyl)phenyl]propan-2-ol (CID 171773463) is 1-bromo-3-[3-chloro-4-(pyridin-3-yloxymethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-bromo-3-[3-chloro-4-(pyridin-3-yloxymethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-bromo-3-[3-chloro-4-(pyridin-3-yloxymethyl)phenyl]propan-2-ol is OC(CBr)Cc1ccc(COc2cccnc2)c(Cl)c1.
What is the InChIKey of 1-bromo-3-[3-chloro-4-(pyridin-3-yloxymethyl)phenyl]propan-2-ol?
The InChIKey is NNXNZZNDHXFPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2/c16-8-13(19)6-11-3-4-12(15(17)7-11)10-20-14-2-1-5-18-9-14/h1-5,7,9,13,19H,6,8,10H2.
What are the key properties of 1-bromo-3-[3-chloro-4-(pyridin-3-yloxymethyl)phenyl]propan-2-ol?
1-bromo-3-[3-chloro-4-(pyridin-3-yloxymethyl)phenyl]propan-2-ol has a molecular weight of 356.65 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[3-chloro-4-(pyridin-3-yloxymethyl)phenyl]propan-2-ol is sourced from PubChem (CID 171773463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).