2-(3-bromo-2,6-difluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol

C12H11BrF2N2O — CID 114165938

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol
SMILESCn1nccc1C(O)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C12H11BrF2N2O/c1-17-10(4-5-16-17)11(18)6-7-9(14)3-2-8(13)12(7)15/h2-5,11,18H,6H2,1H3
InChIKeyLSSOYOHRIPZGEN-UHFFFAOYSA-N
MW317.13 g/mol
LogP2.74
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol

2-(3-bromo-2,6-difluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol (PubChem CID 114165938) has the molecular formula C12H11BrF2N2O and a molecular weight of 317.13 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol
PubChem CID114165938
Molecular FormulaC12H11BrF2N2O
Molecular Weight317.13 g/mol
Exact Mass316.00
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol
SMILESCn1nccc1C(O)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C12H11BrF2N2O/c1-17-10(4-5-16-17)11(18)6-7-9(14)3-2-8(13)12(7)15/h2-5,11,18H,6H2,1H3
InChIKeyLSSOYOHRIPZGEN-UHFFFAOYSA-N
XLogP2.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 52.74
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

2-(3-bromo-2,6-difluorophenyl)-1-(1H-imidazol-2-yl)ethanol
CID 106266549
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
2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol
CID 106265752
2-(5-bromo-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554148
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol
CID 106265600
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-methylphenyl)ethanol
CID 106274418
3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine
CID 106273471
3-amino-1-(2-methylpyrazol-3-yl)propan-1-ol
CID 82595670
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554076
2-(3-bromo-2,6-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 106274492
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 106266541

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol (CID 114165938) is 2-(3-bromo-2,6-difluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol is Cn1nccc1C(O)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol?
The InChIKey is LSSOYOHRIPZGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF2N2O/c1-17-10(4-5-16-17)11(18)6-7-9(14)3-2-8(13)12(7)15/h2-5,11,18H,6H2,1H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol?
2-(3-bromo-2,6-difluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol has a molecular weight of 317.13 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 114165938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).