6-bromo-2,4,5-trimethyl-1,2-dihydropyridin-3-ol

C8H12BrNO — CID 130245351

IUPAC6-bromo-2,4,5-trimethyl-1,2-dihydropyridin-3-ol
SMILESCC1=C(Br)NC(C)C(O)=C1C
InChIInChI=1S/C8H12BrNO/c1-4-5(2)8(9)10-6(3)7(4)11/h6,10-11H,1-3H3
InChIKeyNDTXQRCNKCMHGE-UHFFFAOYSA-N
MW218.09 g/mol
LogP2.44
Rot. Bonds

About 6-bromo-2,4,5-trimethyl-1,2-dihydropyridin-3-ol

6-bromo-2,4,5-trimethyl-1,2-dihydropyridin-3-ol (PubChem CID 130245351) has the molecular formula C8H12BrNO and a molecular weight of 218.09 g/mol. Its IUPAC name is 6-bromo-2,4,5-trimethyl-1,2-dihydropyridin-3-ol.

Molecular Properties

Compound Name6-bromo-2,4,5-trimethyl-1,2-dihydropyridin-3-ol
PubChem CID130245351
Molecular FormulaC8H12BrNO
Molecular Weight218.09 g/mol
Exact Mass217.01
IUPAC Name6-bromo-2,4,5-trimethyl-1,2-dihydropyridin-3-ol
SMILESCC1=C(Br)NC(C)C(O)=C1C
InChIInChI=1S/C8H12BrNO/c1-4-5(2)8(9)10-6(3)7(4)11/h6,10-11H,1-3H3
InChIKeyNDTXQRCNKCMHGE-UHFFFAOYSA-N
XLogP2.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 52.44
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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,4,5-trimethyl-1,2-dihydropyridin-3-ol?
The IUPAC name of 6-bromo-2,4,5-trimethyl-1,2-dihydropyridin-3-ol (CID 130245351) is 6-bromo-2,4,5-trimethyl-1,2-dihydropyridin-3-ol.
What is the SMILES notation for 6-bromo-2,4,5-trimethyl-1,2-dihydropyridin-3-ol?
The canonical SMILES for 6-bromo-2,4,5-trimethyl-1,2-dihydropyridin-3-ol is CC1=C(Br)NC(C)C(O)=C1C.
What is the InChIKey of 6-bromo-2,4,5-trimethyl-1,2-dihydropyridin-3-ol?
The InChIKey is NDTXQRCNKCMHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO/c1-4-5(2)8(9)10-6(3)7(4)11/h6,10-11H,1-3H3.
What are the key properties of 6-bromo-2,4,5-trimethyl-1,2-dihydropyridin-3-ol?
6-bromo-2,4,5-trimethyl-1,2-dihydropyridin-3-ol has a molecular weight of 218.09 g/mol, XLogP of 2.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,4,5-trimethyl-1,2-dihydropyridin-3-ol is sourced from PubChem (CID 130245351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).