1-(6-bromo-3-chloro-2-pyridinyl)ethanol

C7H7BrClNO — CID 86667924

IUPAC1-(6-bromo-3-chloro-2-pyridinyl)ethanol
SMILESCC(O)c1nc(Br)ccc1Cl
InChIInChI=1S/C7H7BrClNO/c1-4(11)7-5(9)2-3-6(8)10-7/h2-4,11H,1H3
InChIKeyRWKJFNQMCWDVML-UHFFFAOYSA-N
MW236.50 g/mol
LogP2.55
Rot. Bonds1

About 1-(6-bromo-3-chloro-2-pyridinyl)ethanol

1-(6-bromo-3-chloro-2-pyridinyl)ethanol (PubChem CID 86667924) has the molecular formula C7H7BrClNO and a molecular weight of 236.50 g/mol. Its IUPAC name is 1-(6-bromo-3-chloro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(6-bromo-3-chloro-2-pyridinyl)ethanol
PubChem CID86667924
Molecular FormulaC7H7BrClNO
Molecular Weight236.50 g/mol
Exact Mass234.94
IUPAC Name1-(6-bromo-3-chloro-2-pyridinyl)ethanol
SMILESCC(O)c1nc(Br)ccc1Cl
InChIInChI=1S/C7H7BrClNO/c1-4(11)7-5(9)2-3-6(8)10-7/h2-4,11H,1H3
InChIKeyRWKJFNQMCWDVML-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(6-bromo-3-pyrazol-1-yl-2-pyridinyl)ethanol
CID 146592030
6-bromo-2-propan-2-ylpyridin-3-amine
CID 141017784
6-bromo-3-chloro-2-iodopyridine
CID 130114975
(1R)-1-(3-bromo-4-chlorophenyl)ethanol
CID 112756230
6-bromo-2-methyl-3-propan-2-ylpyridine
CID 143746105
1-(3-bromo-5-chloro-2-pyridinyl)ethanol
CID 71744171
3,6-dibromo-2-(dibromomethyl)pyridine;3,6-dibromo-2-methylpyridine;tetrachloromethane
CID 160689191
1-(3-chloro-4-trimethylsilyl-2-pyridinyl)ethanol
CID 130115911
3-(6-bromo-3-hydroxy-2-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170825065
3,6-dichloropyridine-2-carboxylic acid;propan-2-amine
CID 174671655
1-(6-bromo-2-methyl-3-pyridinyl)ethane-1,2-diol;ethane
CID 168939076
(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol
CID 130649262

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3-chloro-2-pyridinyl)ethanol?
The IUPAC name of 1-(6-bromo-3-chloro-2-pyridinyl)ethanol (CID 86667924) is 1-(6-bromo-3-chloro-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(6-bromo-3-chloro-2-pyridinyl)ethanol?
The canonical SMILES for 1-(6-bromo-3-chloro-2-pyridinyl)ethanol is CC(O)c1nc(Br)ccc1Cl.
What is the InChIKey of 1-(6-bromo-3-chloro-2-pyridinyl)ethanol?
The InChIKey is RWKJFNQMCWDVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO/c1-4(11)7-5(9)2-3-6(8)10-7/h2-4,11H,1H3.
What are the key properties of 1-(6-bromo-3-chloro-2-pyridinyl)ethanol?
1-(6-bromo-3-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-(6-bromo-3-chloro-2-pyridinyl)ethanol is sourced from PubChem (CID 86667924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).