2-(1-bromoethyl)pyridin-3-ol

C7H8BrNO — CID 174581885

IUPAC2-(1-bromoethyl)pyridin-3-ol
SMILESCC(Br)c1ncccc1O
InChIInChI=1S/C7H8BrNO/c1-5(8)7-6(10)3-2-4-9-7/h2-5,10H,1H3
InChIKeyZEISOVAQZISRKL-UHFFFAOYSA-N
MW202.05 g/mol
LogP2.24
Rot. Bonds1

About 2-(1-bromoethyl)pyridin-3-ol

2-(1-bromoethyl)pyridin-3-ol (PubChem CID 174581885) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 2-(1-bromoethyl)pyridin-3-ol.

Molecular Properties

Compound Name2-(1-bromoethyl)pyridin-3-ol
PubChem CID174581885
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name2-(1-bromoethyl)pyridin-3-ol
SMILESCC(Br)c1ncccc1O
InChIInChI=1S/C7H8BrNO/c1-5(8)7-6(10)3-2-4-9-7/h2-5,10H,1H3
InChIKeyZEISOVAQZISRKL-UHFFFAOYSA-N
XLogP2.24
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1-aminoethyl]pyridin-3-ol
CID 96848333
2-[(1R)-1-bromoethyl]-3-methylpyridine
CID 124561597
4-bromo-1-(3-hydroxy-2-pyridinyl)butane-1,2-diol
CID 171891513
2,3-dihydroxy-3-(3-hydroxy-2-pyridinyl)propanenitrile
CID 171869735
2-benzhydrylpyridin-3-ol
CID 125491889
methyl 3,4-dihydroxy-4-(3-hydroxy-2-pyridinyl)butanoate
CID 171895095
3,4-dihydroxy-4-(3-hydroxy-2-pyridinyl)butanamide
CID 171898678
2-[1-[(2S)-2-methylpyrrolidin-1-yl]ethyl]pyridin-3-ol
CID 148926259
tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate
CID 140527519
methyl 2-(3-hydroxy-2-pyridinyl)-2-nitrosoacetate
CID 90920727
2,3-di(propan-2-yl)pyridine;ethanol
CID 159072457
2-[1-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyridin-3-ol;hydrochloride
CID 67585183

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromoethyl)pyridin-3-ol?
The IUPAC name of 2-(1-bromoethyl)pyridin-3-ol (CID 174581885) is 2-(1-bromoethyl)pyridin-3-ol.
What is the SMILES notation for 2-(1-bromoethyl)pyridin-3-ol?
The canonical SMILES for 2-(1-bromoethyl)pyridin-3-ol is CC(Br)c1ncccc1O.
What is the InChIKey of 2-(1-bromoethyl)pyridin-3-ol?
The InChIKey is ZEISOVAQZISRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-5(8)7-6(10)3-2-4-9-7/h2-5,10H,1H3.
What are the key properties of 2-(1-bromoethyl)pyridin-3-ol?
2-(1-bromoethyl)pyridin-3-ol has a molecular weight of 202.05 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoethyl)pyridin-3-ol is sourced from PubChem (CID 174581885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).