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

C15H14BrF2NO — CID 106274491

IUPAC1-(3-bromo-2,6-difluorophenyl)-4-pyridin-2-ylbutan-2-ol
SMILESOC(CCc1ccccn1)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H14BrF2NO/c16-13-6-7-14(17)12(15(13)18)9-11(20)5-4-10-3-1-2-8-19-10/h1-3,6-8,11,20H,4-5,9H2
InChIKeyFCSOPJQSPRQCHD-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.66
Rot. Bonds5

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

1-(3-bromo-2,6-difluorophenyl)-4-pyridin-2-ylbutan-2-ol (PubChem CID 106274491) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-4-pyridin-2-ylbutan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-4-pyridin-2-ylbutan-2-ol
PubChem CID106274491
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-4-pyridin-2-ylbutan-2-ol
SMILESOC(CCc1ccccn1)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H14BrF2NO/c16-13-6-7-14(17)12(15(13)18)9-11(20)5-4-10-3-1-2-8-19-10/h1-3,6-8,11,20H,4-5,9H2
InChIKeyFCSOPJQSPRQCHD-UHFFFAOYSA-N
XLogP3.66
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.66
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-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-ol
CID 105100110
1-(3-bromo-2,6-difluorophenyl)-4-(4-methylphenyl)butan-2-ol
CID 106274397
1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol
CID 106265334
1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 106266424
1-(5-bromothiophen-2-yl)-4-pyridin-2-ylbutan-2-ol
CID 105087342
1-(3-bromo-2,6-difluorophenyl)-5-ethoxypentan-2-ol
CID 106274424
1-(4-ethylphenyl)-4-pyridin-2-ylbutan-2-ol
CID 105080302
1-(3-bromo-2-fluorophenyl)-2-pyridin-2-ylethanol
CID 106645019
1-(furan-2-yl)-4-pyridin-2-ylbutan-2-ol
CID 105122992
1-(3-bromo-2,6-difluorophenyl)-2-pyridin-2-ylethanone
CID 106941653
1-(3-bromo-2,6-difluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-ol
CID 106266545
1-(3-bromo-2-fluorophenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 106647594

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-4-pyridin-2-ylbutan-2-ol?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-4-pyridin-2-ylbutan-2-ol (CID 106274491) is 1-(3-bromo-2,6-difluorophenyl)-4-pyridin-2-ylbutan-2-ol.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-4-pyridin-2-ylbutan-2-ol?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-4-pyridin-2-ylbutan-2-ol is OC(CCc1ccccn1)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-4-pyridin-2-ylbutan-2-ol?
The InChIKey is FCSOPJQSPRQCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c16-13-6-7-14(17)12(15(13)18)9-11(20)5-4-10-3-1-2-8-19-10/h1-3,6-8,11,20H,4-5,9H2.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-4-pyridin-2-ylbutan-2-ol?
1-(3-bromo-2,6-difluorophenyl)-4-pyridin-2-ylbutan-2-ol has a molecular weight of 342.18 g/mol, XLogP of 3.66, 5 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)-4-pyridin-2-ylbutan-2-ol is sourced from PubChem (CID 106274491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).