2-bromo-2-methyl-1H-pyridin-3-ol

C6H8BrNO — CID 150354494

IUPAC2-bromo-2-methyl-1H-pyridin-3-ol
SMILESCC1(Br)NC=CC=C1O
InChIInChI=1S/C6H8BrNO/c1-6(7)5(9)3-2-4-8-6/h2-4,8-9H,1H3
InChIKeyGUKVLTHMJKSKEO-UHFFFAOYSA-N
MW190.04 g/mol
LogP1.66
Rot. Bonds

About 2-bromo-2-methyl-1H-pyridin-3-ol

2-bromo-2-methyl-1H-pyridin-3-ol (PubChem CID 150354494) has the molecular formula C6H8BrNO and a molecular weight of 190.04 g/mol. Its IUPAC name is 2-bromo-2-methyl-1H-pyridin-3-ol.

Molecular Properties

Compound Name2-bromo-2-methyl-1H-pyridin-3-ol
PubChem CID150354494
Molecular FormulaC6H8BrNO
Molecular Weight190.04 g/mol
Exact Mass188.98
IUPAC Name2-bromo-2-methyl-1H-pyridin-3-ol
SMILESCC1(Br)NC=CC=C1O
InChIInChI=1S/C6H8BrNO/c1-6(7)5(9)3-2-4-8-6/h2-4,8-9H,1H3
InChIKeyGUKVLTHMJKSKEO-UHFFFAOYSA-N
XLogP1.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-1H-pyridin-3-ol?
The IUPAC name of 2-bromo-2-methyl-1H-pyridin-3-ol (CID 150354494) is 2-bromo-2-methyl-1H-pyridin-3-ol.
What is the SMILES notation for 2-bromo-2-methyl-1H-pyridin-3-ol?
The canonical SMILES for 2-bromo-2-methyl-1H-pyridin-3-ol is CC1(Br)NC=CC=C1O.
What is the InChIKey of 2-bromo-2-methyl-1H-pyridin-3-ol?
The InChIKey is GUKVLTHMJKSKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO/c1-6(7)5(9)3-2-4-8-6/h2-4,8-9H,1H3.
What are the key properties of 2-bromo-2-methyl-1H-pyridin-3-ol?
2-bromo-2-methyl-1H-pyridin-3-ol has a molecular weight of 190.04 g/mol, XLogP of 1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-1H-pyridin-3-ol is sourced from PubChem (CID 150354494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).