1-(3-bromo-2,6-difluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-ol

C15H14BrF2NO2 — CID 106266545

IUPAC1-(3-bromo-2,6-difluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2c(F)ccc(Br)c2F)cn1
InChIInChI=1S/C15H14BrF2NO2/c1-21-14-5-2-9(8-19-14)6-10(20)7-11-13(17)4-3-12(16)15(11)18/h2-5,8,10,20H,6-7H2,1H3
InChIKeyGZUPUMJBCRHPGZ-UHFFFAOYSA-N
MW358.18 g/mol
LogP3.28
Rot. Bonds5

About 1-(3-bromo-2,6-difluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-ol

1-(3-bromo-2,6-difluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-ol (PubChem CID 106266545) has the molecular formula C15H14BrF2NO2 and a molecular weight of 358.18 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-ol
PubChem CID106266545
Molecular FormulaC15H14BrF2NO2
Molecular Weight358.18 g/mol
Exact Mass357.02
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2c(F)ccc(Br)c2F)cn1
InChIInChI=1S/C15H14BrF2NO2/c1-21-14-5-2-9(8-19-14)6-10(20)7-11-13(17)4-3-12(16)15(11)18/h2-5,8,10,20H,6-7H2,1H3
InChIKeyGZUPUMJBCRHPGZ-UHFFFAOYSA-N
XLogP3.28
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 106263440
1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 106266424
1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol
CID 106265334
1-(3-bromo-2,6-difluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
CID 106266420
1-(2,6-difluoro-3-methylphenyl)-2-(6-methoxy-3-pyridinyl)ethanol
CID 82823117
1-(3-bromo-2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-ol
CID 106273651
1-(3-bromo-2,6-difluorophenyl)-5-methoxy-4-methylpentan-2-ol
CID 106274511
1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol
CID 106266378
1-(3-bromo-2,6-difluorophenyl)-4-(4-methylphenyl)butan-2-ol
CID 106274397
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol
CID 106265600
1-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82870030
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine
CID 106762794

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-ol?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-ol (CID 106266545) is 1-(3-bromo-2,6-difluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-ol.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-ol?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-ol is COc1ccc(CC(O)Cc2c(F)ccc(Br)c2F)cn1.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-ol?
The InChIKey is GZUPUMJBCRHPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO2/c1-21-14-5-2-9(8-19-14)6-10(20)7-11-13(17)4-3-12(16)15(11)18/h2-5,8,10,20H,6-7H2,1H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-ol?
1-(3-bromo-2,6-difluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-ol has a molecular weight of 358.18 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 106266545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).