1-(3-bromo-5-chloro-2-pyridinyl)ethanol

C7H7BrClNO — CID 71744171

IUPAC1-(3-bromo-5-chloro-2-pyridinyl)ethanol
SMILESCC(O)c1ncc(Cl)cc1Br
InChIInChI=1S/C7H7BrClNO/c1-4(11)7-6(8)2-5(9)3-10-7/h2-4,11H,1H3
InChIKeyAUVBGIYQOJAROI-UHFFFAOYSA-N
MW236.50 g/mol
LogP2.55
Rot. Bonds1

About 1-(3-bromo-5-chloro-2-pyridinyl)ethanol

1-(3-bromo-5-chloro-2-pyridinyl)ethanol (PubChem CID 71744171) has the molecular formula C7H7BrClNO and a molecular weight of 236.50 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-pyridinyl)ethanol
PubChem CID71744171
Molecular FormulaC7H7BrClNO
Molecular Weight236.50 g/mol
Exact Mass234.94
IUPAC Name1-(3-bromo-5-chloro-2-pyridinyl)ethanol
SMILESCC(O)c1ncc(Cl)cc1Br
InChIInChI=1S/C7H7BrClNO/c1-4(11)7-6(8)2-5(9)3-10-7/h2-4,11H,1H3
InChIKeyAUVBGIYQOJAROI-UHFFFAOYSA-N
XLogP2.55
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.50
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-chloro-2-pyridinyl)ethanamine
CID 71744170
(1R)-1-(3-bromo-5-chloro-2-pyridinyl)ethanamine
CID 97136038
(1S)-1-(3-bromo-5-chloro-2-pyridinyl)-N-methylethanamine
CID 130737820
propan-2-yl 3-bromo-5-chloropyridine-2-carboxylate
CID 133063626
1-(3,5-dichloro-2-pyridinyl)-2-methylpropan-1-ol
CID 79780293
1-(2-bromo-5-chloro-3-pyridinyl)-2-methylpropan-1-ol
CID 175958580
2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol
CID 114835661
2-(3-bromo-5-chloro-2-pyridinyl)-3-(4-methylphenyl)propanoic acid
CID 114838809
1-(3-bromo-5-chloro-2-pyridinyl)-4-propan-2-ylpiperazine
CID 114836752
3-bromo-5-chloro-N-methylpyridin-2-amine
CID 51356623
2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanamide
CID 114835671
3-bromo-5-chloro-N-cyclobutyl-N-methylpyridin-2-amine
CID 114837418

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-pyridinyl)ethanol?
The IUPAC name of 1-(3-bromo-5-chloro-2-pyridinyl)ethanol (CID 71744171) is 1-(3-bromo-5-chloro-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-pyridinyl)ethanol?
The canonical SMILES for 1-(3-bromo-5-chloro-2-pyridinyl)ethanol is CC(O)c1ncc(Cl)cc1Br.
What is the InChIKey of 1-(3-bromo-5-chloro-2-pyridinyl)ethanol?
The InChIKey is AUVBGIYQOJAROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO/c1-4(11)7-6(8)2-5(9)3-10-7/h2-4,11H,1H3.
What are the key properties of 1-(3-bromo-5-chloro-2-pyridinyl)ethanol?
1-(3-bromo-5-chloro-2-pyridinyl)ethanol has a molecular weight of 236.50 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-pyridinyl)ethanol is sourced from PubChem (CID 71744171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).