(6-bromo-1,2-dihydropyridin-2-yl)methanol

C6H8BrNO — CID 174316408

IUPAC(6-bromo-1,2-dihydropyridin-2-yl)methanol
SMILESOCC1C=CC=C(Br)N1
InChIInChI=1S/C6H8BrNO/c7-6-3-1-2-5(4-9)8-6/h1-3,5,8-9H,4H2
InChIKeyIQGJCIGIULGFTM-UHFFFAOYSA-N
MW190.04 g/mol
LogP0.74
Rot. Bonds1

About (6-bromo-1,2-dihydropyridin-2-yl)methanol

(6-bromo-1,2-dihydropyridin-2-yl)methanol (PubChem CID 174316408) has the molecular formula C6H8BrNO and a molecular weight of 190.04 g/mol. Its IUPAC name is (6-bromo-1,2-dihydropyridin-2-yl)methanol.

Molecular Properties

Compound Name(6-bromo-1,2-dihydropyridin-2-yl)methanol
PubChem CID174316408
Molecular FormulaC6H8BrNO
Molecular Weight190.04 g/mol
Exact Mass188.98
IUPAC Name(6-bromo-1,2-dihydropyridin-2-yl)methanol
SMILESOCC1C=CC=C(Br)N1
InChIInChI=1S/C6H8BrNO/c7-6-3-1-2-5(4-9)8-6/h1-3,5,8-9H,4H2
InChIKeyIQGJCIGIULGFTM-UHFFFAOYSA-N
XLogP0.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6-bromo-1,2-dihydropyridin-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1,2-dihydropyridin-2-yl)methanol?
The IUPAC name of (6-bromo-1,2-dihydropyridin-2-yl)methanol (CID 174316408) is (6-bromo-1,2-dihydropyridin-2-yl)methanol.
What is the SMILES notation for (6-bromo-1,2-dihydropyridin-2-yl)methanol?
The canonical SMILES for (6-bromo-1,2-dihydropyridin-2-yl)methanol is OCC1C=CC=C(Br)N1.
What is the InChIKey of (6-bromo-1,2-dihydropyridin-2-yl)methanol?
The InChIKey is IQGJCIGIULGFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO/c7-6-3-1-2-5(4-9)8-6/h1-3,5,8-9H,4H2.
What are the key properties of (6-bromo-1,2-dihydropyridin-2-yl)methanol?
(6-bromo-1,2-dihydropyridin-2-yl)methanol has a molecular weight of 190.04 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1,2-dihydropyridin-2-yl)methanol is sourced from PubChem (CID 174316408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).