5-bromo-1-methoxy-2-methyl-1,2-dihydropyridin-1-ium

C7H11BrNO+ — CID 143187904

IUPAC5-bromo-1-methoxy-2-methyl-1,2-dihydropyridin-1-ium
SMILESCO[NH+]1C=C(Br)C=CC1C
InChIInChI=1S/C7H10BrNO/c1-6-3-4-7(8)5-9(6)10-2/h3-6H,1-2H3/p+1
InChIKeyDSZQLSHWEWSFNC-UHFFFAOYSA-O
MW205.07 g/mol
LogP0.63
Rot. Bonds1

About 5-bromo-1-methoxy-2-methyl-1,2-dihydropyridin-1-ium

5-bromo-1-methoxy-2-methyl-1,2-dihydropyridin-1-ium (PubChem CID 143187904) has the molecular formula C7H11BrNO+ and a molecular weight of 205.07 g/mol. Its IUPAC name is 5-bromo-1-methoxy-2-methyl-1,2-dihydropyridin-1-ium.

Molecular Properties

Compound Name5-bromo-1-methoxy-2-methyl-1,2-dihydropyridin-1-ium
PubChem CID143187904
Molecular FormulaC7H11BrNO+
Molecular Weight205.07 g/mol
Exact Mass204.00
IUPAC Name5-bromo-1-methoxy-2-methyl-1,2-dihydropyridin-1-ium
SMILESCO[NH+]1C=C(Br)C=CC1C
InChIInChI=1S/C7H10BrNO/c1-6-3-4-7(8)5-9(6)10-2/h3-6H,1-2H3/p+1
InChIKeyDSZQLSHWEWSFNC-UHFFFAOYSA-O
XLogP0.63
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.07
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(6R)-4-bromo-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
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methyl 4-bromocyclohexa-2,4-diene-1-sulfonate
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methoxy-2-methyl-1,2-dihydropyridin-1-ium?
The IUPAC name of 5-bromo-1-methoxy-2-methyl-1,2-dihydropyridin-1-ium (CID 143187904) is 5-bromo-1-methoxy-2-methyl-1,2-dihydropyridin-1-ium.
What is the SMILES notation for 5-bromo-1-methoxy-2-methyl-1,2-dihydropyridin-1-ium?
The canonical SMILES for 5-bromo-1-methoxy-2-methyl-1,2-dihydropyridin-1-ium is CO[NH+]1C=C(Br)C=CC1C.
What is the InChIKey of 5-bromo-1-methoxy-2-methyl-1,2-dihydropyridin-1-ium?
The InChIKey is DSZQLSHWEWSFNC-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10BrNO/c1-6-3-4-7(8)5-9(6)10-2/h3-6H,1-2H3/p+1.
What are the key properties of 5-bromo-1-methoxy-2-methyl-1,2-dihydropyridin-1-ium?
5-bromo-1-methoxy-2-methyl-1,2-dihydropyridin-1-ium has a molecular weight of 205.07 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methoxy-2-methyl-1,2-dihydropyridin-1-ium is sourced from PubChem (CID 143187904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).