1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol

C14H12BrF2NO — CID 106266424

IUPAC1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
SMILESOC(Cc1ccncc1)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C14H12BrF2NO/c15-12-1-2-13(16)11(14(12)17)8-10(19)7-9-3-5-18-6-4-9/h1-6,10,19H,7-8H2
InChIKeyGULSOZZMJTVAHP-UHFFFAOYSA-N
MW328.16 g/mol
LogP3.27
Rot. Bonds4

About 1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol

1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol (PubChem CID 106266424) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
PubChem CID106266424
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
SMILESOC(Cc1ccncc1)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C14H12BrF2NO/c15-12-1-2-13(16)11(14(12)17)8-10(19)7-9-3-5-18-6-4-9/h1-6,10,19H,7-8H2
InChIKeyGULSOZZMJTVAHP-UHFFFAOYSA-N
XLogP3.27
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol
CID 106266378
1-(3-bromo-2,6-difluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-ol
CID 106266545
1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 106274453
1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 82919441
1-(3-bromo-2,6-difluorophenyl)-4-pyridin-2-ylbutan-2-ol
CID 106274491
2-(3-bromo-2,6-difluorophenyl)-1-(1H-imidazol-2-yl)ethanol
CID 106266549
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 106266541
1-(3-bromo-2,6-difluorophenyl)-4-(4-methylphenyl)butan-2-ol
CID 106274397
2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol
CID 106265752
2-(3-bromo-2,6-difluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114165938

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol (CID 106266424) is 1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol is OC(Cc1ccncc1)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol?
The InChIKey is GULSOZZMJTVAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c15-12-1-2-13(16)11(14(12)17)8-10(19)7-9-3-5-18-6-4-9/h1-6,10,19H,7-8H2.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol?
1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol has a molecular weight of 328.16 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol is sourced from PubChem (CID 106266424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).