6-bromo-2-methyl-1,2-dihydropyridin-3-ol

C6H8BrNO — CID 86341132

IUPAC6-bromo-2-methyl-1,2-dihydropyridin-3-ol
SMILESCC1NC(Br)=CC=C1O
InChIInChI=1S/C6H8BrNO/c1-4-5(9)2-3-6(7)8-4/h2-4,8-9H,1H3
InChIKeyGGHOWEQBOKDOGV-UHFFFAOYSA-N
MW190.04 g/mol
LogP1.66
Rot. Bonds

About 6-bromo-2-methyl-1,2-dihydropyridin-3-ol

6-bromo-2-methyl-1,2-dihydropyridin-3-ol (PubChem CID 86341132) has the molecular formula C6H8BrNO and a molecular weight of 190.04 g/mol. Its IUPAC name is 6-bromo-2-methyl-1,2-dihydropyridin-3-ol.

Molecular Properties

Compound Name6-bromo-2-methyl-1,2-dihydropyridin-3-ol
PubChem CID86341132
Molecular FormulaC6H8BrNO
Molecular Weight190.04 g/mol
Exact Mass188.98
IUPAC Name6-bromo-2-methyl-1,2-dihydropyridin-3-ol
SMILESCC1NC(Br)=CC=C1O
InChIInChI=1S/C6H8BrNO/c1-4-5(9)2-3-6(7)8-4/h2-4,8-9H,1H3
InChIKeyGGHOWEQBOKDOGV-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': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-2-methyl-1H-pyridin-3-ol
CID 68291484
2-Ethyl-1,2-dihydropyridin-3-ol
CID 70065292
2-Methyl-1,2-dihydropyridin-3-ol
CID 86340221
2,5-Dimethyl-1,2-dihydropyridin-3-ol
CID 129042370
6-Bromo-2,4,5-trimethyl-1,2-dihydropyridin-3-ol
CID 130245351
2-(6-Bromo-1,2-dihydropyridin-2-yl)propan-2-ol
CID 143930436
(3E,5Z)-2-amino-6-(methylamino)hexa-3,5-dien-3-ol
CID 144104548
2-bromo-2-methyl-1H-pyridin-3-ol
CID 150354494
(6-Bromo-1,2-dihydropyridin-2-yl)methanol
CID 174316408
6-Bromo-5-methyl-1,2-dihydropyridin-3-ol
CID 86340855
5-Bromo-2-methyl-1,2-dihydropyridin-3-ol
CID 86340987
6-Iodo-2-methyl-1,2-dihydropyridin-3-ol
CID 86341503

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-1,2-dihydropyridin-3-ol?
The IUPAC name of 6-bromo-2-methyl-1,2-dihydropyridin-3-ol (CID 86341132) is 6-bromo-2-methyl-1,2-dihydropyridin-3-ol.
What is the SMILES notation for 6-bromo-2-methyl-1,2-dihydropyridin-3-ol?
The canonical SMILES for 6-bromo-2-methyl-1,2-dihydropyridin-3-ol is CC1NC(Br)=CC=C1O.
What is the InChIKey of 6-bromo-2-methyl-1,2-dihydropyridin-3-ol?
The InChIKey is GGHOWEQBOKDOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO/c1-4-5(9)2-3-6(7)8-4/h2-4,8-9H,1H3.
What are the key properties of 6-bromo-2-methyl-1,2-dihydropyridin-3-ol?
6-bromo-2-methyl-1,2-dihydropyridin-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 6-bromo-2-methyl-1,2-dihydropyridin-3-ol is sourced from PubChem (CID 86341132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).